ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate

C18H25ClN2O3 — CID 112504371

IUPACethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-24-18(23)17(22)20-12-16(14-4-6-15(19)7-5-14)21-10-8-13(2)9-11-21/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,22)
InChIKeyZDYFZEXUINBPQC-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.79
Rot. Bonds5

About ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate

ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate (PubChem CID 112504371) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
PubChem CID112504371
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Nameethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C18H25ClN2O3/c1-3-24-18(23)17(22)20-12-16(14-4-6-15(19)7-5-14)21-10-8-13(2)9-11-21/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,22)
InChIKeyZDYFZEXUINBPQC-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
ethyl 2-[[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]amino]-2-oxoacetate
CID 112504461
ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate
CID 112506594
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
CID 92967695
ethyl 2-[[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504722
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
CID 110622266
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate (CID 112504371) is ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate is CCOC(=O)C(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate?
The InChIKey is ZDYFZEXUINBPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-3-24-18(23)17(22)20-12-16(14-4-6-15(19)7-5-14)21-10-8-13(2)9-11-21/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate?
ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate has a molecular weight of 352.86 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate is sourced from PubChem (CID 112504371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).