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

C20H30N4O2 — CID 126440237

IUPAC4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccc2nc(CNC(=O)N3CCC([C@@H](O)CC(C)C)CC3)[nH]c2c1
InChIInChI=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
InChIKeyRJMLGSQGEJJANF-SFHVURJKSA-N
MW358.49 g/mol
LogP3.20
Rot. Bonds5

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 Name4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID126440237
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccc2nc(CNC(=O)N3CCC([C@@H](O)CC(C)C)CC3)[nH]c2c1
InChIInChI=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
InChIKeyRJMLGSQGEJJANF-SFHVURJKSA-N
XLogP3.20
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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).