2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

C16H22N4O — CID 56875048

IUPAC2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2nc3c(C)cccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-11-5-3-7-13-15(11)19-16(18-13)12-6-4-8-20(10-12)14(21)9-17-2/h3,5,7,12,17H,4,6,8-10H2,1-2H3,(H,18,19)
InChIKeyDKOVWVXTZPIIKX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.80
Rot. Bonds3

About 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 56875048) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID56875048
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2nc3c(C)cccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-11-5-3-7-13-15(11)19-16(18-13)12-6-4-8-20(10-12)14(21)9-17-2/h3,5,7,12,17H,4,6,8-10H2,1-2H3,(H,18,19)
InChIKeyDKOVWVXTZPIIKX-UHFFFAOYSA-N
XLogP1.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 70746246
1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70768103
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 70711688
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70719611
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70737912
3-[2-[3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]propanoic acid
CID 167686172

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (CID 56875048) is 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is CNCC(=O)N1CCCC(c2nc3c(C)cccc3[nH]2)C1.
What is the InChIKey of 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is DKOVWVXTZPIIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-5-3-7-13-15(11)19-16(18-13)12-6-4-8-20(10-12)14(21)9-17-2/h3,5,7,12,17H,4,6,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56875048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).