1,1-Dimethylethyl 4-[5-[[[1-(2-ethoxy-2-oxoethyl)-4-piperidinyl]carbonyl]amino]-2-pyridinyl]-1-piperazinecarboxylate
Basic information
- CAS
193902-79-3- Standard SMILES
CCOC(=O)CN1CCC(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1- InChIKey
GRDMILJRTVCBPU-UHFFFAOYSA-N- Molecular formula
- C24H37N5O5
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.2794693
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[5-[[[1-(2-ethoxy-2-oxoethyl)-4-piperidinyl]carbonyl]amino]-2-pyridinyl]-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[5-[[1-(2-ethoxy-2-oxoethyl)piperidine-4-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
Names & synonyms
DTXSID0011063541,1-Dimethylethyl 4-[5-[[[1-(2-ethoxy-2-oxoethyl)-4-piperidinyl]carbonyl]amino]-2-pyridinyl]-1-piperazinecarboxylate193902-79-3
Database identifiers
- CAS
193902-79-3- PubChem CID
- 165367205
- DTXSID
DTXSID001106354
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 696
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Related reactions
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Compound notes
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