(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

C23H27N5O — CID 97268216

About (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 97268216) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
• PubChem CID: 97268216
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)cc1C
• InChI: InChI=1S/C23H27N5O/c1-17-5-6-21(14-18(17)2)26-23(29)28-12-3-4-20(16-28)22-25-11-13-27(22)15-19-7-9-24-10-8-19/h5-11,13-14,20H,3-4,12,15-16H2,1-2H3,(H,26,29)/t20-/m1/s1
• InChIKey: BLRMBRMWRXONDO-HXUWFJFHSA-N
• XLogP: 4.35
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?

The IUPAC name of (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (CID 97268216) is (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)cc1C.

What is the InChIKey of (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?

The InChIKey is BLRMBRMWRXONDO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-5-6-21(14-18(17)2)26-23(29)28-12-3-4-20(16-28)22-25-11-13-27(22)15-19-7-9-24-10-8-19/h5-11,13-14,20H,3-4,12,15-16H2,1-2H3,(H,26,29)/t20-/m1/s1.

What are the key properties of (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?

(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97268216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).