10-(piperidine-1-carbonyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

• ChemBase ID: 217397
• Molecular Formular: C24H19N3O2
• Molecular Mass: 381.42656
• Monoisotopic Mass: 381.14772686
• SMILES: n12c(=O)c3c(c4c1c(c1c2cccc1)cc(n4)C(=O)N1CCCCC1)cccc3
• Canonical SMILES: O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCCCC1
• InChI: InChI=1S/C24H19N3O2/c28-23-17-10-3-2-9-16(17)21-22-18(15-8-4-5-11-20(15)27(22)23)14-19(25-21)24(29)26-12-6-1-7-13-26/h2-5,8-11,14H,1,6-7,12-13H2
• InChIKey: FSNODHHGXLGQOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(piperidine-1-carbonyl)-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
• IUPAC Traditional name: 10-(piperidine-1-carbonyl)-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

Database IDs

• PubChem SID: 164273307
• PubChem CID: 8016742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6412354
• LogD (pH = 7.4): 3.6412356
• Log P: 3.6412356
• Molar Refractivity: 110.6041 cm^3
• Polarizability: 45.674152 Å^3
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds