(3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

C25H32N4O — CID 124819832

About (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

(3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 124819832) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 124819832
• Molecular Formula: C25H32N4O
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.26
• IUPAC Name: (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)c(C)c1
• InChI: InChI=1S/C25H32N4O/c1-17(2)29-23-10-6-5-9-22(23)26-24(29)16-28-13-7-8-20(15-28)25(30)27-21-12-11-18(3)14-19(21)4/h5-6,9-12,14,17,20H,7-8,13,15-16H2,1-4H3,(H,27,30)/t20-/m1/s1
• InChIKey: DPXYLKQOTBTCDF-HXUWFJFHSA-N
• XLogP: 5.08
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 124819832) is (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)c(C)c1.

What is the InChIKey of (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?

The InChIKey is DPXYLKQOTBTCDF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N4O/c1-17(2)29-23-10-6-5-9-22(23)26-24(29)16-28-13-7-8-20(15-28)25(30)27-21-12-11-18(3)14-19(21)4/h5-6,9-12,14,17,20H,7-8,13,15-16H2,1-4H3,(H,27,30)/t20-/m1/s1.

What are the key properties of (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?

(3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124819832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).