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

C20H21NO4 — CID 171320483

IUPAC1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-13-3-5-14(6-4-13)19-17(20(23)24)11-12-18(22)21(19)15-7-9-16(25-2)10-8-15/h3-10,17,19H,11-12H2,1-2H3,(H,23,24)
InChIKeyQSFOLKLMGHYCFK-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.57
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 171320483) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID171320483
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO4/c1-13-3-5-14(6-4-13)19-17(20(23)24)11-12-18(22)21(19)15-7-9-16(25-2)10-8-15/h3-10,17,19H,11-12H2,1-2H3,(H,23,24)
InChIKeyQSFOLKLMGHYCFK-UHFFFAOYSA-N
XLogP3.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
[2-(4-methylanilino)-2-oxoethyl] (2S,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 40785983
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
[2-(4-methylanilino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 4969539
1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 43020518
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxothiomorpholine-2-carboxylic acid
CID 171320510
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid (CID 171320483) is 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid is COc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is QSFOLKLMGHYCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-3-5-14(6-4-13)19-17(20(23)24)11-12-18(22)21(19)15-7-9-16(25-2)10-8-15/h3-10,17,19H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid?
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 171320483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).