methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate

C16H21ClN2O4 — CID 2460757

IUPACmethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H21ClN2O4/c1-22-14-4-3-12(9-13(14)17)18-15(20)10-19-7-5-11(6-8-19)16(21)23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyWUZTXBIBTJXFIX-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.17
Rot. Bonds5

About methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 2460757) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID2460757
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Namemethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H21ClN2O4/c1-22-14-4-3-12(9-13(14)17)18-15(20)10-19-7-5-11(6-8-19)16(21)23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyWUZTXBIBTJXFIX-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide;oxalic acid
CID 16302953
2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-methyl-N-(2-phenylethyl)propanamide
CID 49766515
1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
CID 118395977
N-(3-chloro-4-methoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 894133
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 974717
N-(3-chloro-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2366523
Ethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2467455
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-[(dimethylamino)sulfonyl]-N~2~-phenylglycinamide
CID 2972538
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 3158617
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 3241535
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3245729
N-(3-chloro-4-methoxyphenyl)-2-(3-ethoxypropylamino)-2-phenylacetamide
CID 3545299

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate (CID 2460757) is methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is WUZTXBIBTJXFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-22-14-4-3-12(9-13(14)17)18-15(20)10-19-7-5-11(6-8-19)16(21)23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 2460757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).