N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide

C19H30N2O — CID 170148773

IUPACN-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)C(C)C2)cc1C(C)(C)C
InChIInChI=1S/C19H30N2O/c1-13-7-8-16(12-17(13)19(3,4)5)20-18(22)15-9-10-21(6)14(2)11-15/h7-8,12,14-15H,9-11H2,1-6H3,(H,20,22)
InChIKeyUIMHIZCWHVUOTQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.96
Rot. Bonds2

About N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide

N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide (PubChem CID 170148773) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide
PubChem CID170148773
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)C(C)C2)cc1C(C)(C)C
InChIInChI=1S/C19H30N2O/c1-13-7-8-16(12-17(13)19(3,4)5)20-18(22)15-9-10-21(6)14(2)11-15/h7-8,12,14-15H,9-11H2,1-6H3,(H,20,22)
InChIKeyUIMHIZCWHVUOTQ-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide
CID 118038486
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
(2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide
CID 154793518
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 169075067

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide (CID 170148773) is N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C)C(C)C2)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide?
The InChIKey is UIMHIZCWHVUOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13-7-8-16(12-17(13)19(3,4)5)20-18(22)15-9-10-21(6)14(2)11-15/h7-8,12,14-15H,9-11H2,1-6H3,(H,20,22).
What are the key properties of N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide?
N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 170148773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).