methyl 1-methyl-4-(N-phenylpropanamido)piperidine-4-carboxylate

• ChemBase ID: 128512
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: O=C(OC)C1(N(c2ccccc2)C(=O)CC)CCN(C)CC1
• Canonical SMILES: CCC(=O)N(C1(CCN(CC1)C)C(=O)OC)c1ccccc1
• InChI: InChI=1S/C17H24N2O3/c1-4-15(20)19(14-8-6-5-7-9-14)17(16(21)22-3)10-12-18(2)13-11-17/h5-9H,4,10-13H2,1-3H3
• InChIKey: KKEVIELPQLXPRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-methyl-4-(N-phenylpropanamido)piperidine-4-carboxylate
• IUPAC Traditional name: N-methylcarfentanil
• Synonyms: N-Methylcarfentanil

Database IDs

• PubChem SID: 162222819
• PubChem CID: 12298013
• Chemspider ID: 26231037
• Wikipedia Title: N-Methylcarfentanil

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3949321
• LogD (pH = 7.4): 1.265615
• Log P: 1.6543888
• Molar Refractivity: 85.0084 cm^3
• Polarizability: 33.34424 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Protein Bound: ?