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

C24H30N2O3 — CID 43006887

IUPACN-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccccc1OC
InChIInChI=1S/C24H30N2O3/c1-4-5-16-25-24(28)20-14-15-22(27)26(18-12-10-17(2)11-13-18)23(20)19-8-6-7-9-21(19)29-3/h6-13,20,23H,4-5,14-16H2,1-3H3,(H,25,28)
InChIKeyYKISURPWJCDTMU-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.40
Rot. Bonds7

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

N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 43006887) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID43006887
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccccc1OC
InChIInChI=1S/C24H30N2O3/c1-4-5-16-25-24(28)20-14-15-22(27)26(18-12-10-17(2)11-13-18)23(20)19-8-6-7-9-21(19)29-3/h6-13,20,23H,4-5,14-16H2,1-3H3,(H,25,28)
InChIKeyYKISURPWJCDTMU-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26909564
(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 40863511
N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 18209297
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 55390676
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
2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide
CID 56559087
(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
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 43006887) is N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is CCCCNC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccccc1OC.
What is the InChIKey of N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YKISURPWJCDTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-5-16-25-24(28)20-14-15-22(27)26(18-12-10-17(2)11-13-18)23(20)19-8-6-7-9-21(19)29-3/h6-13,20,23H,4-5,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 43006887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).