ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate

C15H18Cl2N2O3 — CID 895061

IUPACethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-2-22-14(20)10-5-7-19(8-6-10)15(21)18-13-4-3-11(16)9-12(13)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,21)
InChIKeyMPYFCIXEKJFZLE-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.80
Rot. Bonds3

About ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 895061) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID895061
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Nameethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-2-22-14(20)10-5-7-19(8-6-10)15(21)18-13-4-3-11(16)9-12(13)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,21)
InChIKeyMPYFCIXEKJFZLE-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-((2-chlorophenyl)carbamoyl)piperazine-1-carboxylate
CID 645322
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
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 1-((2-chlorophenyl)carbamoyl)piperidine-4-carboxylate
CID 713037
Methyl 1-(anilinocarbonyl)-4-piperidinecarboxylate
CID 894806
1-[2-(2-Chloro-phenylcarbamoyl)-ethyl]-piperidine-4-carboxylic acid ethyl ester
CID 2901311
Ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 2972598
Ethyl 1-[(3,5-dichloroanilino)carbonyl]-4-piperidinecarboxylate
CID 2813596
Ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate
CID 46947872

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate (CID 895061) is ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is MPYFCIXEKJFZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-2-22-14(20)10-5-7-19(8-6-10)15(21)18-13-4-3-11(16)9-12(13)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,21).
What are the key properties of ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 345.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 895061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).