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

C23H25N3O3 — CID 45227213

IUPAC3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C23H25N3O3/c1-29-21-11-5-2-8-18(21)23(28)17-7-6-13-25(15-17)22(27)12-14-26-16-24-19-9-3-4-10-20(19)26/h2-5,8-11,16-17H,6-7,12-15H2,1H3
InChIKeyBKKBOXMURRHPSE-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.56
Rot. Bonds6

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

3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 45227213) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
PubChem CID45227213
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C23H25N3O3/c1-29-21-11-5-2-8-18(21)23(28)17-7-6-13-25(15-17)22(27)12-14-26-16-24-19-9-3-4-10-20(19)26/h2-5,8-11,16-17H,6-7,12-15H2,1H3
InChIKeyBKKBOXMURRHPSE-UHFFFAOYSA-N
XLogP3.56
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45168811
3-(1,3-benzothiazol-2-yl)-1-[(3R)-3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 42564843
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 42293000
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
1-[3-(benzimidazol-1-yl)propanoyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 110107405
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
3-(benzimidazol-1-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 132764398
1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117922
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one (CID 45227213) is 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one is COc1ccccc1C(=O)C1CCCN(C(=O)CCn2cnc3ccccc32)C1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is BKKBOXMURRHPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-21-11-5-2-8-18(21)23(28)17-7-6-13-25(15-17)22(27)12-14-26-16-24-19-9-3-4-10-20(19)26/h2-5,8-11,16-17H,6-7,12-15H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one?
3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 391.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 45227213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).