1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one

C17H23N3O3 — CID 110886835

IUPAC1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCCC(CO)C2)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-2-19-14-7-3-4-8-15(14)20(17(19)23)11-16(22)18-9-5-6-13(10-18)12-21/h3-4,7-8,13,21H,2,5-6,9-12H2,1H3
InChIKeyNVPMWMKMMKVHKQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.05
Rot. Bonds4

About 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one

1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one (PubChem CID 110886835) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
PubChem CID110886835
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCCC(CO)C2)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-2-19-14-7-3-4-8-15(14)20(17(19)23)11-16(22)18-9-5-6-13(10-18)12-21/h3-4,7-8,13,21H,2,5-6,9-12H2,1H3
InChIKeyNVPMWMKMMKVHKQ-UHFFFAOYSA-N
XLogP1.05
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 86971333
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
CID 51319062
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 96513038
3,7-dibenzyl-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]purine-2,6-dione
CID 112818073

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one (CID 110886835) is 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one is CCn1c(=O)n(CC(=O)N2CCCC(CO)C2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The InChIKey is NVPMWMKMMKVHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-19-14-7-3-4-8-15(14)20(17(19)23)11-16(22)18-9-5-6-13(10-18)12-21/h3-4,7-8,13,21H,2,5-6,9-12H2,1H3.
What are the key properties of 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 110886835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).