4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide

C16H22N2O3 — CID 7931483

IUPAC4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESCC[C@H]1CCCCN1C(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-13-5-3-4-10-18(13)15(19)11-21-14-8-6-12(7-9-14)16(17)20/h6-9,13H,2-5,10-11H2,1H3,(H2,17,20)/t13-/m0/s1
InChIKeyOQMQTQMJGZBITH-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds5

About 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide

4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 7931483) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID7931483
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESCC[C@H]1CCCCN1C(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-13-5-3-4-10-18(13)15(19)11-21-14-8-6-12(7-9-14)16(17)20/h6-9,13H,2-5,10-11H2,1H3,(H2,17,20)/t13-/m0/s1
InChIKeyOQMQTQMJGZBITH-ZDUSSCGKSA-N
XLogP1.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
1-[(2R)-2-ethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 95253981
4-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]benzamide
CID 8566227
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
CID 56779308
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2376311
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884861
(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115605
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319011

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide (CID 7931483) is 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide is CC[C@H]1CCCCN1C(=O)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is OQMQTQMJGZBITH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13-5-3-4-10-18(13)15(19)11-21-14-8-6-12(7-9-14)16(17)20/h6-9,13H,2-5,10-11H2,1H3,(H2,17,20)/t13-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide?
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).