(3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

C29H31N5O3 — CID 171544104

About (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

(3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 171544104) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• PubChem CID: 171544104
• Molecular Formula: C29H31N5O3
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.24
• IUPAC Name: (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• SMILES: COc1cccc(-c2nc([C@@H]3CCCN(C(=O)Nc4cccc(C(=O)N(C)C)c4)C3)n3ccccc23)c1
• InChI: InChI=1S/C29H31N5O3/c1-32(2)28(35)21-10-6-12-23(17-21)30-29(36)33-15-8-11-22(19-33)27-31-26(25-14-4-5-16-34(25)27)20-9-7-13-24(18-20)37-3/h4-7,9-10,12-14,16-18,22H,8,11,15,19H2,1-3H3,(H,30,36)/t22-/m1/s1
• InChIKey: PRKODGBGHJLZDH-JOCHJYFZSA-N
• XLogP: 5.12
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

The IUPAC name of (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (CID 171544104) is (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is COc1cccc(-c2nc([C@@H]3CCCN(C(=O)Nc4cccc(C(=O)N(C)C)c4)C3)n3ccccc23)c1.

What is the InChIKey of (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

The InChIKey is PRKODGBGHJLZDH-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-32(2)28(35)21-10-6-12-23(17-21)30-29(36)33-15-8-11-22(19-33)27-31-26(25-14-4-5-16-34(25)27)20-9-7-13-24(18-20)37-3/h4-7,9-10,12-14,16-18,22H,8,11,15,19H2,1-3H3,(H,30,36)/t22-/m1/s1.

What are the key properties of (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

(3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 171544104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).