(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C24H29N3O3 — CID 91947166

IUPAC(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cc1OCC
InChIInChI=1S/C24H29N3O3/c1-4-29-21-13-12-17(15-22(21)30-5-2)24(28)27-14-8-9-18(16-27)23-25-19-10-6-7-11-20(19)26(23)3/h6-7,10-13,15,18H,4-5,8-9,14,16H2,1-3H3
InChIKeyITODFPICEPFUEF-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.39
Rot. Bonds6

About (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91947166) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91947166
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cc1OCC
InChIInChI=1S/C24H29N3O3/c1-4-29-21-13-12-17(15-22(21)30-5-2)24(28)27-14-8-9-18(16-27)23-25-19-10-6-7-11-20(19)26(23)3/h6-7,10-13,15,18H,4-5,8-9,14,16H2,1-3H3
InChIKeyITODFPICEPFUEF-UHFFFAOYSA-N
XLogP4.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide
CID 91947036
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 91947124
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91947166) is (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ITODFPICEPFUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-29-21-13-12-17(15-22(21)30-5-2)24(28)27-14-8-9-18(16-27)23-25-19-10-6-7-11-20(19)26(23)3/h6-7,10-13,15,18H,4-5,8-9,14,16H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 407.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91947166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).