4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide

C20H30N4O2 — CID 126440237

About 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide

4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 126440237) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 126440237
• Molecular Formula: C20H30N4O2
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.24
• IUPAC Name: 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
• SMILES: Cc1ccc2nc(CNC(=O)N3CCC([C@@H](O)CC(C)C)CC3)[nH]c2c1
• InChI: InChI=1S/C20H30N4O2/c1-13(2)10-18(25)15-6-8-24(9-7-15)20(26)21-12-19-22-16-5-4-14(3)11-17(16)23-19/h4-5,11,13,15,18,25H,6-10,12H2,1-3H3,(H,21,26)(H,22,23)/t18-/m0/s1
• InChIKey: RJMLGSQGEJJANF-SFHVURJKSA-N
• XLogP: 3.20
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 126440237) is 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide is Cc1ccc2nc(CNC(=O)N3CCC([C@@H](O)CC(C)C)CC3)[nH]c2c1.

What is the InChIKey of 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide?

The InChIKey is RJMLGSQGEJJANF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)10-18(25)15-6-8-24(9-7-15)20(26)21-12-19-22-16-5-4-14(3)11-17(16)23-19/h4-5,11,13,15,18,25H,6-10,12H2,1-3H3,(H,21,26)(H,22,23)/t18-/m0/s1.

What are the key properties of 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide?

4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126440237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).