methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate

C17H23ClN2O4 — CID 60524285

IUPACmethyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H23ClN2O4/c1-23-15-7-6-12(18)9-14(15)19-16(21)11-20-8-4-3-5-13(20)10-17(22)24-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyZFAMDOQKVAIEMG-UHFFFAOYSA-N
MW354.83 g/mol
LogP2.70
Rot. Bonds6

About methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate (PubChem CID 60524285) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
PubChem CID60524285
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Namemethyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H23ClN2O4/c1-23-15-7-6-12(18)9-14(15)19-16(21)11-20-8-4-3-5-13(20)10-17(22)24-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyZFAMDOQKVAIEMG-UHFFFAOYSA-N
XLogP2.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 47060322
methyl 2-[(2S)-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8561617
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55827066
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
CID 51965662
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554809
methyl (2S,3aR,7aR)-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124788695

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate (CID 60524285) is methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate?
The InChIKey is ZFAMDOQKVAIEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-23-15-7-6-12(18)9-14(15)19-16(21)11-20-8-4-3-5-13(20)10-17(22)24-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate has a molecular weight of 354.83 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 60524285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).