1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one

• ChemBase ID: 412403
• Molecular Formular: C23H39N3O3
• Molecular Mass: 405.57406
• Monoisotopic Mass: 405.29914212
• SMILES: N1(C(=O)CCC(C(=O)N2CCC(CN3CCOCC3)CC2)C1)CC1CCCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CC1CCCCC1)N1CCC(CC1)CN1CCOCC1
• InChI: InChI=1S/C23H39N3O3/c27-22-7-6-21(18-26(22)17-19-4-2-1-3-5-19)23(28)25-10-8-20(9-11-25)16-24-12-14-29-15-13-24/h19-21H,1-18H2
• InChIKey: LYMYVPSPJQURIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
• IUPAC Traditional name: 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
• Synonyms: 1-(cyclohexylmethyl)-5-{[4-(4-morpholinylmethyl)-1-piperidinyl]carbonyl}-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8490394
• LogD (pH = 7.4): 0.8953345
• Log P: 1.4908866
• Molar Refractivity: 114.5457 cm^3
• Polarizability: 44.816505 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.42
• LOG S: -1.08
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5