N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide

C24H33FN4O2 — CID 110195247

About N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide (PubChem CID 110195247) has the molecular formula C24H33FN4O2 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
• PubChem CID: 110195247
• Molecular Formula: C24H33FN4O2
• Molecular Weight: 428.55 g/mol
• Exact Mass: 428.26
• IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCC(N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)cc1F
• InChI: InChI=1S/C24H33FN4O2/c1-16-5-6-19(12-21(16)25)26-24(31)27-9-7-20(8-10-27)28-13-17-11-18(15-28)22-3-2-4-23(30)29(22)14-17/h5-6,12,17-18,20,22H,2-4,7-11,13-15H2,1H3,(H,26,31)/t17-,18-,22-/m1/s1
• InChIKey: JYINFRKLVVPGBS-JBYIUTFZSA-N
• XLogP: 3.46
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.55
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide (CID 110195247) is N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)cc1F.

What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

The InChIKey is JYINFRKLVVPGBS-JBYIUTFZSA-N. The full InChI is InChI=1S/C24H33FN4O2/c1-16-5-6-19(12-21(16)25)26-24(31)27-9-7-20(8-10-27)28-13-17-11-18(15-28)22-3-2-4-23(30)29(22)14-17/h5-6,12,17-18,20,22H,2-4,7-11,13-15H2,1H3,(H,26,31)/t17-,18-,22-/m1/s1.

What are the key properties of N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide is sourced from PubChem (CID 110195247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).