2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide

C25H30N2O4 — CID 56559087

IUPAC2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1C1C(C(=O)NC2CCCOC2)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C25H30N2O4/c1-17-9-11-19(12-10-17)27-23(28)14-13-21(25(29)26-18-6-5-15-31-16-18)24(27)20-7-3-4-8-22(20)30-2/h3-4,7-12,18,21,24H,5-6,13-16H2,1-2H3,(H,26,29)
InChIKeySZXWLJOILFPKJP-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.78
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide

2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 56559087) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide
PubChem CID56559087
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1C1C(C(=O)NC2CCCOC2)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C25H30N2O4/c1-17-9-11-19(12-10-17)27-23(28)14-13-21(25(29)26-18-6-5-15-31-16-18)24(27)20-7-3-4-8-22(20)30-2/h3-4,7-12,18,21,24H,5-6,13-16H2,1-2H3,(H,26,29)
InChIKeySZXWLJOILFPKJP-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 40863511
(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26909564
N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 43006887
(2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26011864
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 17482905
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 55390676
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide
CID 55368383
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 16548279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide (CID 56559087) is 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide is COc1ccccc1C1C(C(=O)NC2CCCOC2)CCC(=O)N1c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is SZXWLJOILFPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17-9-11-19(12-10-17)27-23(28)14-13-21(25(29)26-18-6-5-15-31-16-18)24(27)20-7-3-4-8-22(20)30-2/h3-4,7-12,18,21,24H,5-6,13-16H2,1-2H3,(H,26,29).
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide?
2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 56559087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).