ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate

C15H17NO4 — CID 11277361

IUPACethyl 1-benzoyl-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2ccccc2)CCC1=O
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)12-10-16(9-8-13(12)17)14(18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyPVXIEUAIMGNDDW-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.28
Rot. Bonds3

About ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate

ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate (PubChem CID 11277361) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzoyl-4-oxopiperidine-3-carboxylate
PubChem CID11277361
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 1-benzoyl-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2ccccc2)CCC1=O
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)12-10-16(9-8-13(12)17)14(18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyPVXIEUAIMGNDDW-UHFFFAOYSA-N
XLogP1.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate (CID 11277361) is ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate is CCOC(=O)C1CN(C(=O)c2ccccc2)CCC1=O.
What is the InChIKey of ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate?
The InChIKey is PVXIEUAIMGNDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-20-15(19)12-10-16(9-8-13(12)17)14(18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate?
ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate is sourced from PubChem (CID 11277361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).