ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate

C15H18ClNO3 — CID 2905142

IUPACethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClNO3/c1-2-20-15(19)12-4-3-9-17(10-12)14(18)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3
InChIKeyKKPWTOBMNDDGFL-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.76
Rot. Bonds3

About ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate

ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate (PubChem CID 2905142) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
PubChem CID2905142
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Nameethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClNO3/c1-2-20-15(19)12-4-3-9-17(10-12)14(18)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3
InChIKeyKKPWTOBMNDDGFL-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate (CID 2905142) is ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The InChIKey is KKPWTOBMNDDGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-20-15(19)12-4-3-9-17(10-12)14(18)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate?
ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2905142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).