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

C15H19ClN2O3 — CID 94813801

IUPAC4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@H]1CCCCN1C(=O)COc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H19ClN2O3/c1-10-4-2-3-7-18(10)14(19)9-21-13-8-11(16)5-6-12(13)15(17)20/h5-6,8,10H,2-4,7,9H2,1H3,(H2,17,20)/t10-/m0/s1
InChIKeyUGZBVFDAKKGMPS-JTQLQIEISA-N
MW310.78 g/mol
LogP2.22
Rot. Bonds4

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

4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 94813801) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID94813801
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@H]1CCCCN1C(=O)COc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H19ClN2O3/c1-10-4-2-3-7-18(10)14(19)9-21-13-8-11(16)5-6-12(13)15(17)20/h5-6,8,10H,2-4,7,9H2,1H3,(H2,17,20)/t10-/m0/s1
InChIKeyUGZBVFDAKKGMPS-JTQLQIEISA-N
XLogP2.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
CID 86863283
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 107675285
2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 102561626
2-[2-(2-methylpyrrolidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 54882490
(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94472229
N'-hydroxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 43332975
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 119434513
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide
CID 46681061
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide (CID 94813801) is 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide is C[C@H]1CCCCN1C(=O)COc1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is UGZBVFDAKKGMPS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-4-2-3-7-18(10)14(19)9-21-13-8-11(16)5-6-12(13)15(17)20/h5-6,8,10H,2-4,7,9H2,1H3,(H2,17,20)/t10-/m0/s1.
What are the key properties of 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 310.78 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 94813801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).