1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide

C17H22N4O2 — CID 110741848

IUPAC1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(22)21-10-7-13(8-11-21)17(23)18-9-6-16-19-14-4-2-3-5-15(14)20-16/h2-5,13H,6-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyYDTRQKXEAMIKHL-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.48
Rot. Bonds4

About 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 110741848) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID110741848
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(22)21-10-7-13(8-11-21)17(23)18-9-6-16-19-14-4-2-3-5-15(14)20-16/h2-5,13H,6-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyYDTRQKXEAMIKHL-UHFFFAOYSA-N
XLogP1.48
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46365853
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
(2S,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopentanecarbonylamino)-1-methylpyrrolidine-2-carboxamide
CID 56720580
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124564619
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60566031
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide (CID 110741848) is 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is YDTRQKXEAMIKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(22)21-10-7-13(8-11-21)17(23)18-9-6-16-19-14-4-2-3-5-15(14)20-16/h2-5,13H,6-11H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110741848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).