N-methyl-1-[3-(morpholin-4-yl)propyl]-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 864541
• Molecular Formular: C19H29N5O3
• Molecular Mass: 375.46526
• Monoisotopic Mass: 375.22703981
• SMILES: C1(C(=O)N(Cc2nccnc2)C)CN(C(=O)CC1)CCCN1CCOCC1
• Canonical SMILES: O=C(N(Cc1cnccn1)C)C1CCC(=O)N(C1)CCCN1CCOCC1
• InChI: InChI=1S/C19H29N5O3/c1-22(15-17-13-20-5-6-21-17)19(26)16-3-4-18(25)24(14-16)8-2-7-23-9-11-27-12-10-23/h5-6,13,16H,2-4,7-12,14-15H2,1H3
• InChIKey: ITRSLJMKKMCCOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[3-(morpholin-4-yl)propyl]-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-1-[3-(morpholin-4-yl)propyl]-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-methyl-1-[3-(4-morpholinyl)propyl]-6-oxo-N-(2-pyrazinylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.0757334
• LogD (pH = 7.4): -1.7810386
• Log P: -1.6615992
• Molar Refractivity: 101.1927 cm^3
• Polarizability: 39.368603 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.88
• LOG S: -1.64
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7