ethyl 1-benzyl-4-oxopiperidine-2-carboxylate

C15H19NO3 — CID 17285864

IUPACethyl 1-benzyl-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)14-10-13(17)8-9-16(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyXZTATSFSYCLXEA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

About ethyl 1-benzyl-4-oxopiperidine-2-carboxylate

ethyl 1-benzyl-4-oxopiperidine-2-carboxylate (PubChem CID 17285864) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 1-benzyl-4-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-oxopiperidine-2-carboxylate
PubChem CID17285864
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 1-benzyl-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)14-10-13(17)8-9-16(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyXZTATSFSYCLXEA-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-oxopiperidine-2-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-oxopiperidine-2-carboxylate (CID 17285864) is ethyl 1-benzyl-4-oxopiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-oxopiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-oxopiperidine-2-carboxylate is CCOC(=O)C1CC(=O)CCN1Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-4-oxopiperidine-2-carboxylate?
The InChIKey is XZTATSFSYCLXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-15(18)14-10-13(17)8-9-16(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3.
What are the key properties of ethyl 1-benzyl-4-oxopiperidine-2-carboxylate?
ethyl 1-benzyl-4-oxopiperidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-oxopiperidine-2-carboxylate is sourced from PubChem (CID 17285864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).