1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one

C15H19N3O — CID 51327259

IUPAC1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O/c1-2-14(19)18-9-5-6-11(10-18)15-16-12-7-3-4-8-13(12)17-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyKMKGEGVRWAVYKH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.68
Rot. Bonds2

About 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 51327259) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID51327259
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O/c1-2-14(19)18-9-5-6-11(10-18)15-16-12-7-3-4-8-13(12)17-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyKMKGEGVRWAVYKH-UHFFFAOYSA-N
XLogP2.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
1-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 55824573
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidine-2,5-dione
CID 46971035
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 95869645
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51725949
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one (CID 51327259) is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KMKGEGVRWAVYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-14(19)18-9-5-6-11(10-18)15-16-12-7-3-4-8-13(12)17-15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51327259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).