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

C24H34N4O3 — CID 134804410

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

N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide (PubChem CID 134804410) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
• PubChem CID: 134804410
• Molecular Formula: C24H34N4O3
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.26
• IUPAC Name: N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCC(N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)cc1
• InChI: InChI=1S/C24H34N4O3/c1-31-21-7-5-19(6-8-21)25-24(30)26-11-9-20(10-12-26)27-14-17-13-18(16-27)22-3-2-4-23(29)28(22)15-17/h5-8,17-18,20,22H,2-4,9-16H2,1H3,(H,25,30)/t17?,18?,22-/m1/s1
• InChIKey: BXOMXUVFRQUIHE-RWWKDMOOSA-N
• XLogP: 3.02
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide (CID 134804410) is N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide.

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

The canonical SMILES for N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)cc1.

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

The InChIKey is BXOMXUVFRQUIHE-RWWKDMOOSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-31-21-7-5-19(6-8-21)25-24(30)26-11-9-20(10-12-26)27-14-17-13-18(16-27)22-3-2-4-23(29)28(22)15-17/h5-8,17-18,20,22H,2-4,9-16H2,1H3,(H,25,30)/t17?,18?,22-/m1/s1.

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

N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide is sourced from PubChem (CID 134804410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).