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

C15H19ClN2O3 — CID 713037

IUPACethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)11-7-9-18(10-8-11)15(20)17-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10H2,1H3,(H,17,20)
InChIKeyJOBLSJOAZPWBLI-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.15
Rot. Bonds3

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

ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 713037) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID713037
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)11-7-9-18(10-8-11)15(20)17-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10H2,1H3,(H,17,20)
InChIKeyJOBLSJOAZPWBLI-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate (CID 713037) is ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is JOBLSJOAZPWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-14(19)11-7-9-18(10-8-11)15(20)17-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10H2,1H3,(H,17,20).
What are the key properties of ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(2-chlorophenyl)carbamoyl]piperidine-4-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-[(2-chlorophenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 713037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).