1-N-[(1S)-1-(hydrazinecarbonyl)-2-phenylethyl]piperidine-1,4-dicarboxamide

• ChemBase ID: 196627
• Molecular Formular: C16H23N5O3
• Molecular Mass: 333.38552
• Monoisotopic Mass: 333.18008962
• SMILES: C(=O)(N1CCC(C(=O)N)CC1)N[C@H](C(=O)NN)Cc1ccccc1
• Canonical SMILES: NNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)C(=O)N
• InChI: InChI=1S/C16H23N5O3/c17-14(22)12-6-8-21(9-7-12)16(24)19-13(15(23)20-18)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18H2,(H2,17,22)(H,19,24)(H,20,23)/t13-/m0/s1
• InChIKey: GHBXTHGLGWGMQU-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-[(1S)-1-(hydrazinecarbonyl)-2-phenylethyl]piperidine-1,4-dicarboxamide
• IUPAC Traditional name: 1-N-[(1S)-1-(hydrazinecarbonyl)-2-phenylethyl]piperidine-1,4-dicarboxamide

Database IDs

• PubChem SID: 164252537
• PubChem CID: 907356

CALCULATED PROPERTIES

• Acid pKa: 12.489294
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.8279157
• LogD (pH = 7.4): -0.826997
• Log P: -0.826982
• Molar Refractivity: 89.5406 cm^3
• Polarizability: 34.24699 Å^3
• Polar Surface Area: 130.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: L-isomer
• Classification: Derivatives & analogs of Natural Compounds