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

C19H18FNO4 — CID 171320532

IUPAC1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO4/c1-25-15-8-2-12(3-9-15)18-16(19(23)24)10-11-17(22)21(18)14-6-4-13(20)5-7-14/h2-9,16,18H,10-11H2,1H3,(H,23,24)
InChIKeyLZOMTGZKGNACAL-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.40
Rot. Bonds4

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

1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 171320532) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID171320532
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO4/c1-25-15-8-2-12(3-9-15)18-16(19(23)24)10-11-17(22)21(18)14-6-4-13(20)5-7-14/h2-9,16,18H,10-11H2,1H3,(H,23,24)
InChIKeyLZOMTGZKGNACAL-UHFFFAOYSA-N
XLogP3.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (CID 171320532) is 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is COc1ccc(C2C(C(=O)O)CCC(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is LZOMTGZKGNACAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-25-15-8-2-12(3-9-15)18-16(19(23)24)10-11-17(22)21(18)14-6-4-13(20)5-7-14/h2-9,16,18H,10-11H2,1H3,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 171320532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).