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

C19H18FNO4 — CID 3244244

IUPAC2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO4/c1-25-15-8-6-14(7-9-15)21-17(22)11-10-16(19(23)24)18(21)12-2-4-13(20)5-3-12/h2-9,16,18H,10-11H2,1H3,(H,23,24)
InChIKeyDGKVIINXYTUEOQ-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 3244244) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID3244244
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO4/c1-25-15-8-6-14(7-9-15)21-17(22)11-10-16(19(23)24)18(21)12-2-4-13(20)5-3-12/h2-9,16,18H,10-11H2,1H3,(H,23,24)
InChIKeyDGKVIINXYTUEOQ-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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Related Compounds

(1-{2-[(4-Methoxyphenyl)(methyl)amino]-2-oxoethyl}cyclohexyl)acetic acid
CID 586333
dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1094572
(2-Oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 3000024
1,6-Bis(4-methoxyphenyl)-5-(morpholin-4-ylcarbonyl)piperidin-2-one
CID 3238340
6-(4-Fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidin-1-ylcarbonyl)piperidin-2-one
CID 3239018
1-{[2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbonyl}piperidine-4-carboxamide
CID 3241907
6-(4-Fluorophenyl)-1-(4-methoxyphenyl)-5-(morpholin-4-ylcarbonyl)piperidin-2-one
CID 3243761
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 3245128
[2-(Ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 4882684
1-Butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 4961796
4-(2-Ethylpiperidine-1-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
CID 15997072
(4S,5S)-5-(aminomethyl)-4-(2,5-difluorophenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 90654718

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid (CID 3244244) is 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is COc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is DGKVIINXYTUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-25-15-8-6-14(7-9-15)21-17(22)11-10-16(19(23)24)18(21)12-2-4-13(20)5-3-12/h2-9,16,18H,10-11H2,1H3,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid?
2-(4-fluorophenyl)-1-(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 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 3244244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).