N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide

C20H28N4O2 — CID 86860041

IUPACN-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCCCc1nc2ccc(NC(=O)C3CCCN(C(=O)CC)C3)cc2[nH]1
InChIInChI=1S/C20H28N4O2/c1-3-5-8-18-22-16-10-9-15(12-17(16)23-18)21-20(26)14-7-6-11-24(13-14)19(25)4-2/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyYIVJRDQMOWMRHX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.49
Rot. Bonds6

About N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide

N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 86860041) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide
PubChem CID86860041
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCCCc1nc2ccc(NC(=O)C3CCCN(C(=O)CC)C3)cc2[nH]1
InChIInChI=1S/C20H28N4O2/c1-3-5-8-18-22-16-10-9-15(12-17(16)23-18)21-20(26)14-7-6-11-24(13-14)19(25)4-2/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyYIVJRDQMOWMRHX-UHFFFAOYSA-N
XLogP3.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
CID 126779606
N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
(3S)-3-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97196027
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
CID 120503091
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide (CID 86860041) is N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide is CCCCc1nc2ccc(NC(=O)C3CCCN(C(=O)CC)C3)cc2[nH]1.
What is the InChIKey of N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is YIVJRDQMOWMRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-5-8-18-22-16-10-9-15(12-17(16)23-18)21-20(26)14-7-6-11-24(13-14)19(25)4-2/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 86860041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).