3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one

C16H20FN3O2 — CID 113195404

IUPAC3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
SMILESCCC1CCCCN1C(=O)Cn1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C16H20FN3O2/c1-2-12-5-3-4-8-19(12)15(21)10-20-14-7-6-11(17)9-13(14)18-16(20)22/h6-7,9,12H,2-5,8,10H2,1H3,(H,18,22)
InChIKeyXAUZAAFNJAVAHA-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.26
Rot. Bonds3

About 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one

3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one (PubChem CID 113195404) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
PubChem CID113195404
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
SMILESCCC1CCCCN1C(=O)Cn1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C16H20FN3O2/c1-2-12-5-3-4-8-19(12)15(21)10-20-14-7-6-11(17)9-13(14)18-16(20)22/h6-7,9,12H,2-5,8,10H2,1H3,(H,18,22)
InChIKeyXAUZAAFNJAVAHA-UHFFFAOYSA-N
XLogP2.26
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 8796602
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015598
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55648630
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2088423
4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 172832405
(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52989207
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one (CID 113195404) is 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one is CCC1CCCCN1C(=O)Cn1c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one?
The InChIKey is XAUZAAFNJAVAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-12-5-3-4-8-19(12)15(21)10-20-14-7-6-11(17)9-13(14)18-16(20)22/h6-7,9,12H,2-5,8,10H2,1H3,(H,18,22).
What are the key properties of 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one?
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one has a molecular weight of 305.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 113195404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).