tert-Butyl 4-[3-(4-nitrophenyl)ureido]piperidine-1-carboxylate
Basic information
- CAS
1233951-89-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
YNACFAXKPZHECB-UHFFFAOYSA-N- Molecular formula
- C17H24N4O5
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17466988
Names & identifiers
- Preferred name
- tert-Butyl 4-[3-(4-nitrophenyl)ureido]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(4-nitrophenyl)carbamoylamino]piperidine-1-carboxylate
- English name
- tert-Butyl 4-[3-(4-nitrophenyl)ureido]piperidine-1-carboxylate
- Molecular formula
- C17H24N4O5
- Molecular weight
- 364.4
Names & synonyms
1233951-89-7tert-Butyl 4-[3-(4-nitrophenyl)ureido]piperidine-1-carboxylatetert-butyl 4-[(4-nitrophenyl)carbamoylamino]piperidine-1-carboxylateMFCD17014300TERT-BUTYL 4-{[(4-NITROPHENYL)CARBAMOYL]AMINO}PIPERIDINE-1-CARBOXYLATETert-butyl 4-(3-(4-nitrophenyl)ureido)piperidine-1-carboxylateDTXSID201129768AKOS026671603KS-59671-Boc-4-[3-(4-nitrophenyl)ureido]piperidineF063539tert-Butyl4-[3-(4-nitrophenyl)ureido]piperidine-1-carboxylate
Show more names
1-Piperidinecarboxylic acid, 4-[[[(4-nitrophenyl)amino]carbonyl]amino]-, 1,1-dimethylethyl ester
1,1-Dimethylethyl 4-[[[(4-nitrophenyl)amino]carbonyl]amino]-1-piperidinecarboxylate
Database identifiers
- CAS
1233951-89-7- PubChem CID
- 53255656
- DTXSID
DTXSID201129768
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 499.2 · 499.2±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.20(Predicted)
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Compound notes
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