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

C23H27ClN4O — CID 124820017

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

(3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 124820017) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 124820017
• Molecular Formula: C23H27ClN4O
• Molecular Weight: 410.95 g/mol
• Exact Mass: 410.19
• IUPAC Name: (3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)n1c(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)nc2ccccc21
• InChI: InChI=1S/C23H27ClN4O/c1-16(2)28-21-8-4-3-7-20(21)26-22(28)15-27-13-5-6-17(14-27)23(29)25-19-11-9-18(24)10-12-19/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,25,29)/t17-/m1/s1
• InChIKey: FIGBJLOWEMXGEO-QGZVFWFLSA-N
• XLogP: 5.12
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.95
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 124820017) is (3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is CC(C)n1c(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)nc2ccccc21.

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

The InChIKey is FIGBJLOWEMXGEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-16(2)28-21-8-4-3-7-20(21)26-22(28)15-27-13-5-6-17(14-27)23(29)25-19-11-9-18(24)10-12-19/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,25,29)/t17-/m1/s1.

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

(3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124820017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).