(15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C31H28N2O3 — CID 1290315

About (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

(15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 1290315) has the molecular formula C31H28N2O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

• Compound Name: (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
• PubChem CID: 1290315
• Molecular Formula: C31H28N2O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.21
• IUPAC Name: (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
• SMILES: C[C@]12C(=O)N(c3ccc(C(=O)N4CCCCC4)cc3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21
• InChI: InChI=1S/C31H28N2O3/c1-31-26-23-11-5-3-9-21(23)25(22-10-4-6-12-24(22)26)27(31)29(35)33(30(31)36)20-15-13-19(14-16-20)28(34)32-17-7-2-8-18-32/h3-6,9-16,25-27H,2,7-8,17-18H2,1H3/t25?,26?,27-,31+/m0/s1
• InChIKey: OABSEMLLYJWZDC-NWULVZIWSA-N
• XLogP: 5.10
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?

The IUPAC name of (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 1290315) is (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

What is the SMILES notation for (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?

The canonical SMILES for (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is C[C@]12C(=O)N(c3ccc(C(=O)N4CCCCC4)cc3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21.

What is the InChIKey of (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?

The InChIKey is OABSEMLLYJWZDC-NWULVZIWSA-N. The full InChI is InChI=1S/C31H28N2O3/c1-31-26-23-11-5-3-9-21(23)25(22-10-4-6-12-24(22)26)27(31)29(35)33(30(31)36)20-15-13-19(14-16-20)28(34)32-17-7-2-8-18-32/h3-6,9-16,25-27H,2,7-8,17-18H2,1H3/t25?,26?,27-,31+/m0/s1.

What are the key properties of (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?

(15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 476.58 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (15R,19R)-15-methyl-17-[4-(piperidine-1-carbonyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 1290315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).