1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one

C23H27N3O3 — CID 86971333

IUPAC1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCCC(COc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C23H27N3O3/c1-2-25-20-12-6-7-13-21(20)26(23(25)28)16-22(27)24-14-8-9-18(15-24)17-29-19-10-4-3-5-11-19/h3-7,10-13,18H,2,8-9,14-17H2,1H3
InChIKeyWLIDZHDWATUVIN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.14
Rot. Bonds6

About 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one

1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one (PubChem CID 86971333) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one
PubChem CID86971333
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCCC(COc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C23H27N3O3/c1-2-25-20-12-6-7-13-21(20)26(23(25)28)16-22(27)24-14-8-9-18(15-24)17-29-19-10-4-3-5-11-19/h3-7,10-13,18H,2,8-9,14-17H2,1H3
InChIKeyWLIDZHDWATUVIN-UHFFFAOYSA-N
XLogP3.14
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 110886835
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-ethyl-4-[2-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 45220082
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one (CID 86971333) is 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one is CCn1c(=O)n(CC(=O)N2CCCC(COc3ccccc3)C2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
The InChIKey is WLIDZHDWATUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-25-20-12-6-7-13-21(20)26(23(25)28)16-22(27)24-14-8-9-18(15-24)17-29-19-10-4-3-5-11-19/h3-7,10-13,18H,2,8-9,14-17H2,1H3.
What are the key properties of 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one is sourced from PubChem (CID 86971333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).