N-cyclopropyl-3-{1-[4-(morpholin-4-yl)benzoyl]piperidin-3-yl}propanamide

• ChemBase ID: 410036
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: N1(C(=O)c2ccc(N3CCOCC3)cc2)CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)C(=O)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C22H31N3O3/c26-21(23-19-6-7-19)10-3-17-2-1-11-25(16-17)22(27)18-4-8-20(9-5-18)24-12-14-28-15-13-24/h4-5,8-9,17,19H,1-3,6-7,10-16H2,(H,23,26)
• InChIKey: WVEXPQDTRCBUGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[4-(morpholin-4-yl)benzoyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[4-(morpholin-4-yl)benzoyl]piperidin-3-yl}propanamide
• Synonyms: N-cyclopropyl-3-{1-[4-(4-morpholinyl)benzoyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573074
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8273126
• LogD (pH = 7.4): 1.8273141
• Log P: 1.8273141
• Molar Refractivity: 109.844 cm^3
• Polarizability: 41.64547 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.03
• LOG S: -3.87
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6