1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

C26H34N2O2 — CID 110083663

IUPAC1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(N)=O)CC1
InChIInChI=1S/C26H34N2O2/c1-4-20(5-2)24(29)28-16-14-26(15-17-28,25(27)30)18-21-11-7-9-13-23(21)22-12-8-6-10-19(22)3/h6-13,20H,4-5,14-18H2,1-3H3,(H2,27,30)
InChIKeyDFMMVAKOZAOAHC-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.73
Rot. Bonds7

About 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 110083663) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID110083663
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(N)=O)CC1
InChIInChI=1S/C26H34N2O2/c1-4-20(5-2)24(29)28-16-14-26(15-17-28,25(27)30)18-21-11-7-9-13-23(21)22-12-8-6-10-19(22)3/h6-13,20H,4-5,14-18H2,1-3H3,(H2,27,30)
InChIKeyDFMMVAKOZAOAHC-UHFFFAOYSA-N
XLogP4.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620707
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620700
1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982795
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083470
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247292
1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982821
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 92620703
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
1-(3,3-dimethylbutanoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230972
3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
CID 110231021

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (CID 110083663) is 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(N)=O)CC1.
What is the InChIKey of 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DFMMVAKOZAOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-4-20(5-2)24(29)28-16-14-26(15-17-28,25(27)30)18-21-11-7-9-13-23(21)22-12-8-6-10-19(22)3/h6-13,20H,4-5,14-18H2,1-3H3,(H2,27,30).
What are the key properties of 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).