2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone

C17H25ClN2O2 — CID 109006497

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C17H25ClN2O2/c1-4-13-7-5-6-8-20(13)17(21)11-19-15-9-12(2)14(18)10-16(15)22-3/h9-10,13,19H,4-8,11H2,1-3H3
InChIKeyMTXYSDPDBGRQJK-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone

2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 109006497) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID109006497
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C17H25ClN2O2/c1-4-13-7-5-6-8-20(13)17(21)11-19-15-9-12(2)14(18)10-16(15)22-3/h9-10,13,19H,4-8,11H2,1-3H3
InChIKeyMTXYSDPDBGRQJK-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006495
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032802
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112995523
2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone
CID 51111589
1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94337272
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
CID 119466852
N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide
CID 17257101
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 61488860
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108511917
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone (CID 109006497) is 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CNc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is MTXYSDPDBGRQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-13-7-5-6-8-20(13)17(21)11-19-15-9-12(2)14(18)10-16(15)22-3/h9-10,13,19H,4-8,11H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 324.85 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109006497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).