N-[(3S)-piperidin-3-yl]cyclopropanecarboxamide hydrochloride

• ChemBase ID: 91351
• Molecular Formular: C9H17ClN2O
• Molecular Mass: 204.69708
• Monoisotopic Mass: 204.10294085
• SMILES: N1CCC[C@@H](C1)NC(=O)C1CC1.Cl
• Canonical SMILES: O=C(C1CC1)N[C@H]1CCCNC1.Cl
• InChI: InChI=1S/C9H16N2O.ClH/c12-9(7-3-4-7)11-8-2-1-5-10-6-8;/h7-8,10H,1-6H2,(H,11,12);1H/t8-;/m0./s1
• InChIKey: MIJYVUATUVKQKX-QRPNPIFTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S)-piperidin-3-yl]cyclopropanecarboxamide hydrochloride
• IUPAC Traditional name: N-[(3S)-piperidin-3-yl]cyclopropanecarboxamide hydrochloride
• Synonyms: (3S)-3-[(Cyclopropylcarbonyl)amino]piperidine hydrochloride, [(3S)-(Piperidin-3-yl)carbamoyl]cyclopropane hydrochloride; N-[(3S)-(Piperidin-3-yl)]cyclopropanecarboxamide hydrochloride

Database IDs

• PubChem SID: 162104876
• PubChem CID: 53256899

CALCULATED PROPERTIES

• Acid pKa: 15.899291
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.101406
• LogD (pH = 7.4): -2.0216017
• Log P: 0.07434508
• Molar Refractivity: 46.6974 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful