N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide

C25H34N4O4 — CID 134804209

About N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide

N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide (PubChem CID 134804209) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
• PubChem CID: 134804209
• Molecular Formula: C25H34N4O4
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.26
• IUPAC Name: N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
• SMILES: COc1cccc(NC(=O)C2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)c1
• InChI: InChI=1S/C25H34N4O4/c1-33-21-5-2-4-20(13-21)26-24(31)18-8-10-27(11-9-18)25(32)28-14-17-12-19(16-28)22-6-3-7-23(30)29(22)15-17/h2,4-5,13,17-19,22H,3,6-12,14-16H2,1H3,(H,26,31)/t17?,19?,22-/m1/s1
• InChIKey: ONBLCUUCLLFNHU-RKOYOZNISA-N
• XLogP: 2.80
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide (CID 134804209) is N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)c1.

What is the InChIKey of N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?

The InChIKey is ONBLCUUCLLFNHU-RKOYOZNISA-N. The full InChI is InChI=1S/C25H34N4O4/c1-33-21-5-2-4-20(13-21)26-24(31)18-8-10-27(11-9-18)25(32)28-14-17-12-19(16-28)22-6-3-7-23(30)29(22)15-17/h2,4-5,13,17-19,22H,3,6-12,14-16H2,1H3,(H,26,31)/t17?,19?,22-/m1/s1.

What are the key properties of N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?

N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 134804209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).