ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate

C16H21ClN2O3 — CID 54810207

IUPACethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3/c1-2-22-16(21)12-7-9-19(10-8-12)15(20)11-18-14-5-3-13(17)4-6-14/h3-6,12,18H,2,7-11H2,1H3
InChIKeyRASJFYRGXOOVNT-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.55
Rot. Bonds5

About ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate (PubChem CID 54810207) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate
PubChem CID54810207
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Nameethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3/c1-2-22-16(21)12-7-9-19(10-8-12)15(20)11-18-14-5-3-13(17)4-6-14/h3-6,12,18H,2,7-11H2,1H3
InChIKeyRASJFYRGXOOVNT-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

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Related Compounds

2-(5-Chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4880691
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 6462588
Ethyl 1-(3-((3-chlorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740068
Ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
1-{1-[3-(2-Chloro-phenyl)-ureido]-cyclohexanecarbonyl}-piperidine-4-carboxylic acid ethyl ester
CID 650262
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24738063
Ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclopentanecarbonyl]piperidine-4-carboxylate
CID 46947849
1-[2-[[(2,4-Dichloroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
CID 50898226
Ethyl 4-[(4-chlorophenyl)amino]butanoate
CID 4140977
Ethyl 1-((2-chlorophenyl)carbamoyl)piperidine-4-carboxylate
CID 713037
Ethyl 1-{[(2,4-dichlorophenyl)amino]carbonyl}-4-piperidinecarboxylate
CID 895061
1-[2-(2-Chloro-phenylcarbamoyl)-ethyl]-piperidine-4-carboxylic acid ethyl ester
CID 2901311

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate (CID 54810207) is ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is RASJFYRGXOOVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-2-22-16(21)12-7-9-19(10-8-12)15(20)11-18-14-5-3-13(17)4-6-14/h3-6,12,18H,2,7-11H2,1H3.
What are the key properties of ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-chloroanilino)acetyl]piperidine-4-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-(4-chloroanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 54810207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).