ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate

C16H21ClN2O3 — CID 51170832

IUPACethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O3/c1-2-22-16(21)12-6-5-9-19(10-12)11-15(20)18-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,20)
InChIKeyKLPIVIURSOVFSQ-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.55
Rot. Bonds5

About ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate

ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 51170832) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID51170832
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Nameethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O3/c1-2-22-16(21)12-6-5-9-19(10-12)11-15(20)18-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,20)
InChIKeyKLPIVIURSOVFSQ-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate 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

ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058
ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
CID 8533241
ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxylate
CID 8532875
ethyl (3R)-1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532524
ethyl (3S)-1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]piperidine-3-carboxylate
CID 9035095
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47287034
2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
ethyl (3R)-1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532262
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate (CID 51170832) is ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is KLPIVIURSOVFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-2-22-16(21)12-6-5-9-19(10-12)11-15(20)18-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,20).
What are the key properties of ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate?
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 324.81 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 51170832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).