ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate

C16H20ClNO3 — CID 2905629

IUPACethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO3/c1-2-21-16(20)13-4-3-9-18(11-13)15(19)10-12-5-7-14(17)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyOKEWIRFAAYZFIX-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.68
Rot. Bonds4

About ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate (PubChem CID 2905629) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate
PubChem CID2905629
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Nameethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO3/c1-2-21-16(20)13-4-3-9-18(11-13)15(19)10-12-5-7-14(17)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyOKEWIRFAAYZFIX-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate (CID 2905629) is ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate?
The InChIKey is OKEWIRFAAYZFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-2-21-16(20)13-4-3-9-18(11-13)15(19)10-12-5-7-14(17)8-6-12/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate has a molecular weight of 309.79 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chlorophenyl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 2905629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).