(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C24H27N5O2 — CID 125008722

About (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 125008722) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• PubChem CID: 125008722
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2Cn2ccnc2C)C1
• InChI: InChI=1S/C24H27N5O2/c1-18-26-13-15-28(18)16-19-8-3-4-9-20(19)22(30)29-14-7-11-24(17-29,23(31)25-2)21-10-5-6-12-27-21/h3-6,8-10,12-13,15H,7,11,14,16-17H2,1-2H3,(H,25,31)/t24-/m1/s1
• InChIKey: UXELCQRKOGHREM-XMMPIXPASA-N
• XLogP: 2.55
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The IUPAC name of (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 125008722) is (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2Cn2ccnc2C)C1.

What is the InChIKey of (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The InChIKey is UXELCQRKOGHREM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-26-13-15-28(18)16-19-8-3-4-9-20(19)22(30)29-14-7-11-24(17-29,23(31)25-2)21-10-5-6-12-27-21/h3-6,8-10,12-13,15H,7,11,14,16-17H2,1-2H3,(H,25,31)/t24-/m1/s1.

What are the key properties of (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125008722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).