Basic information
- CAS
20977-50-8- Standard SMILES
CC(C)NC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1- InChIKey
HJSFDYCHYVGVDC-UHFFFAOYSA-N- Molecular formula
- C19H27FN2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.20057089
Overview
Carperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Carperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Carperone has a monoisotopic molecular weight of 350.2 Da.
Names & identifiers
- Preferred name
- Carperone
- IUPAC
- [1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamate
- English name
- Carperone
- Molecular formula
- C19H27FN2O3
- Molecular weight
- 350.43
Names & synonyms
Carperone20977-50-8AL-1021CarperonaCarperonumQ3AP22Z9FJ1-(3-(4-Fluorobenzoyl)propyl)-4-piperidyl N-isopropylcarbamateDTXSID70175178(1-Methylethyl)carbamic acid, 1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl esterRefChem:123805DTXCID0097669Carperone [INN]
Show more names
4'-Fluoro-γ-[4-(isopropylcarbamoyloxy)piperidino]butyrophenone1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl=N-isopropylcarbamateCarbamic acid, N-(1-methylethyl)-, 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl ester
[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] N-propan-2-ylcarbamateIsopropylcarbamic acid ester with 4'-fluoro-4-(4-hydroxypiperidino)butyrophenoneCarperonum [INN-Latin]Carperona [INN-Spanish]BRN 1551021UNII-Q3AP22Z9FJorb1697953SCHEMBL2110743
Database identifiers
- CAS
20977-50-8- PubChem CID
- 30429
- DTXSID
DTXSID70175178
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Melting point
- 105.15 °C · 105.15°C
- Boiling point
- 493.7 · 493.7±45.0 °C(Predicted)
- Density
- 1.1164 · 1.1164 (estimate)
- pka
- 12.41 · 12.41±0.46(Predicted)
- FDA UNII
- 3 AP22Z9FJ · Q3AP22Z9FJ
Chemistry & industry
Suppliers3 total
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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