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

C25H32N2O2 — CID 92620700

IUPACN-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C25H32N2O2/c1-18(2)23(28)27-15-13-25(14-16-27,24(29)26-4)17-20-10-6-8-12-22(20)21-11-7-5-9-19(21)3/h5-12,18H,13-17H2,1-4H3,(H,26,29)
InChIKeyXEZWTCPDTYXQBB-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.22
Rot. Bonds5

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

N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 92620700) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID92620700
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C25H32N2O2/c1-18(2)23(28)27-15-13-25(14-16-27,24(29)26-4)17-20-10-6-8-12-22(20)21-11-7-5-9-19(21)3/h5-12,18H,13-17H2,1-4H3,(H,26,29)
InChIKeyXEZWTCPDTYXQBB-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 92620703
4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620773
1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083663
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586242
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
(3S)-1-benzoyl-N-methyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561153
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 92620700) is N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is XEZWTCPDTYXQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18(2)23(28)27-15-13-25(14-16-27,24(29)26-4)17-20-10-6-8-12-22(20)21-11-7-5-9-19(21)3/h5-12,18H,13-17H2,1-4H3,(H,26,29).
What are the key properties of N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 92620700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).