2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone

C18H26N4O — CID 120704503

IUPAC2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C18H26N4O/c1-13(2)22-16-9-5-4-8-15(16)20-18(22)14-7-6-10-21(12-14)17(23)11-19-3/h4-5,8-9,13-14,19H,6-7,10-12H2,1-3H3
InChIKeyJKUGVJSGGCUQFF-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.54
Rot. Bonds4

About 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone

2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 120704503) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID120704503
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C18H26N4O/c1-13(2)22-16-9-5-4-8-15(16)20-18(22)14-7-6-10-21(12-14)17(23)11-19-3/h4-5,8-9,13-14,19H,6-7,10-12H2,1-3H3
InChIKeyJKUGVJSGGCUQFF-UHFFFAOYSA-N
XLogP2.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119887269
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 92626286
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 92628115
1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 46976077
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 119887232
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 102559687
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 120636549

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone (CID 120704503) is 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone is CNCC(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1.
What is the InChIKey of 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is JKUGVJSGGCUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)22-16-9-5-4-8-15(16)20-18(22)14-7-6-10-21(12-14)17(23)11-19-3/h4-5,8-9,13-14,19H,6-7,10-12H2,1-3H3.
What are the key properties of 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 120704503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).