1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

C15H19NO4 — CID 2803369

IUPAC1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CCC(C(=O)O)C1c1ccc(OC)cc1
InChIInChI=1S/C15H19NO4/c1-3-16-13(17)9-8-12(15(18)19)14(16)10-4-6-11(20-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyOOEQVBQHJUONDC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.08
Rot. Bonds4

About 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 2803369) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID2803369
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CCC(C(=O)O)C1c1ccc(OC)cc1
InChIInChI=1S/C15H19NO4/c1-3-16-13(17)9-8-12(15(18)19)14(16)10-4-6-11(20-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyOOEQVBQHJUONDC-UHFFFAOYSA-N
XLogP2.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (CID 2803369) is 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is CCN1C(=O)CCC(C(=O)O)C1c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is OOEQVBQHJUONDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-16-13(17)9-8-12(15(18)19)14(16)10-4-6-11(20-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 2803369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).