N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide

C16H24N2O — CID 115159736

IUPACN-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
SMILESCc1cc(C)c(N(C)C(=O)C2CCCCN2)cc1C
InChIInChI=1S/C16H24N2O/c1-11-9-13(3)15(10-12(11)2)18(4)16(19)14-7-5-6-8-17-14/h9-10,14,17H,5-8H2,1-4H3
InChIKeyAHLQDENKAOCIBZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.72
Rot. Bonds2

About N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide

N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide (PubChem CID 115159736) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
PubChem CID115159736
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
SMILESCc1cc(C)c(N(C)C(=O)C2CCCCN2)cc1C
InChIInChI=1S/C16H24N2O/c1-11-9-13(3)15(10-12(11)2)18(4)16(19)14-7-5-6-8-17-14/h9-10,14,17H,5-8H2,1-4H3
InChIKeyAHLQDENKAOCIBZ-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 115159245
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 115159221
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 104914313
N-(1H-indol-3-yl)-N-methylpiperidine-2-carboxamide
CID 115159733
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
(2R)-N-tert-butyl-N-methylpiperidine-2-carboxamide
CID 130877800
N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 115159253
N-(5-chlorothiophen-2-yl)-N-methylpiperidine-2-carboxamide
CID 115159724
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide (CID 115159736) is N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide is Cc1cc(C)c(N(C)C(=O)C2CCCCN2)cc1C.
What is the InChIKey of N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide?
The InChIKey is AHLQDENKAOCIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-9-13(3)15(10-12(11)2)18(4)16(19)14-7-5-6-8-17-14/h9-10,14,17H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide?
N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 115159736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).