ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate

C15H19ClN2O3 — CID 2972598

IUPACethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)11-5-4-8-18(10-11)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20)
InChIKeyYTUSQYFWWUGNAD-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.15
Rot. Bonds3

About ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate

ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 2972598) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID2972598
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)11-5-4-8-18(10-11)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20)
InChIKeyYTUSQYFWWUGNAD-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 2973554
Ethyl 1-(3-((3-chlorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740068
4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl ester
CID 11381825
Ethyl 1-((2-chlorophenyl)carbamoyl)piperidine-4-carboxylate
CID 713037
Ethyl 1-{[(2,4-dichlorophenyl)amino]carbonyl}-4-piperidinecarboxylate
CID 895061
Ethyl 1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 2946210
Ethyl 1-[(3-chlorophenyl)carbamothioyl]piperidine-3-carboxylate
CID 4508006
Ethyl 1-[1-(2-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]piperidine-3-carboxylate
CID 5310165
1-[2-(3-Chloro-2-methyl-phenylcarbamoyl)-ethyl]-piperidine-3-carboxylic acid ethyl ester
CID 23724390
Ethyl 1-[(3,5-dichloroanilino)carbonyl]-4-piperidinecarboxylate
CID 2813596
1-(Phenylcarbamoyl)piperidine-3-carboxylic acid
CID 16226941
1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester
CID 2900775

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate (CID 2972598) is ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is YTUSQYFWWUGNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-14(19)11-5-4-8-18(10-11)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20).
What are the key properties of ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 2972598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).