N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C26H34N2O2 — CID 92620707

IUPACN,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C26H34N2O2/c1-19(2)24(29)28-16-14-26(15-17-28,25(30)27(4)5)18-21-11-7-9-13-23(21)22-12-8-6-10-20(22)3/h6-13,19H,14-18H2,1-5H3
InChIKeyQZLKUNOORWZCJK-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.56
Rot. Bonds5

About N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 92620707) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID92620707
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C26H34N2O2/c1-19(2)24(29)28-16-14-26(15-17-28,25(30)27(4)5)18-21-11-7-9-13-23(21)22-12-8-6-10-20(22)3/h6-13,19H,14-18H2,1-5H3
InChIKeyQZLKUNOORWZCJK-UHFFFAOYSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620700
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
1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083663
3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 110230994
1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982795
1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110230993
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92605155
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92578856
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124994587

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 92620707) is N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is QZLKUNOORWZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-19(2)24(29)28-16-14-26(15-17-28,25(30)27(4)5)18-21-11-7-9-13-23(21)22-12-8-6-10-20(22)3/h6-13,19H,14-18H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 92620707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).