1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one

C18H25N3O3 — CID 56819857

IUPAC1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
SMILESCCOC1CCCN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1
InChIInChI=1S/C18H25N3O3/c1-3-24-14-7-6-11-20(13-14)17(22)10-12-21-16-9-5-4-8-15(16)19(2)18(21)23/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyUANCGCSJXLNCEH-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.76
Rot. Bonds5

About 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one

1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one (PubChem CID 56819857) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
PubChem CID56819857
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
SMILESCCOC1CCCN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1
InChIInChI=1S/C18H25N3O3/c1-3-24-14-7-6-11-20(13-14)17(22)10-12-21-16-9-5-4-8-15(16)19(2)18(21)23/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyUANCGCSJXLNCEH-UHFFFAOYSA-N
XLogP1.76
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropylbenzimidazol-1-yl)-1-[(3R)-3-ethoxypiperidin-1-yl]ethanone
CID 95283403
N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide
CID 38719285
(2R,3R)-2-methyl-1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 122115197
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
1-methyl-3-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]benzimidazol-2-one;hydrochloride
CID 120995124
6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
CID 74232921
1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119410437
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
CID 47736317
1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one (CID 56819857) is 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one is CCOC1CCCN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1.
What is the InChIKey of 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
The InChIKey is UANCGCSJXLNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-24-14-7-6-11-20(13-14)17(22)10-12-21-16-9-5-4-8-15(16)19(2)18(21)23/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 56819857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).