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

C15H19N3O2 — CID 47140725

IUPAC1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O2/c1-20-10-14(19)18-8-4-5-11(9-18)15-16-12-6-2-3-7-13(12)17-15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,17)
InChIKeyPUIBIGGWZZEXEV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds3

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

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 47140725) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
PubChem CID47140725
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O2/c1-20-10-14(19)18-8-4-5-11(9-18)15-16-12-6-2-3-7-13(12)17-15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,17)
InChIKeyPUIBIGGWZZEXEV-UHFFFAOYSA-N
XLogP1.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 46509164
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
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 95869645
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone (CID 47140725) is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is PUIBIGGWZZEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-10-14(19)18-8-4-5-11(9-18)15-16-12-6-2-3-7-13(12)17-15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,17).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 273.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 47140725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).