N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H19F3N4O — CID 11537864

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O/c1-12-3-4-14(11-15(12)18(19,20)21)24-16(26)13-5-9-25(10-6-13)17-22-7-2-8-23-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,24,26)
InChIKeyQTLGJUIZEKXEGA-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.66
Rot. Bonds3

About N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 11537864) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID11537864
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O/c1-12-3-4-14(11-15(12)18(19,20)21)24-16(26)13-5-9-25(10-6-13)17-22-7-2-8-23-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,24,26)
InChIKeyQTLGJUIZEKXEGA-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 46395476
N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333861
N-(3,4-dimethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9039747
1-(3-acetylphenyl)sulfonyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 24573053

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 11537864) is N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is QTLGJUIZEKXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-3-4-14(11-15(12)18(19,20)21)24-16(26)13-5-9-25(10-6-13)17-22-7-2-8-23-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,24,26).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 11537864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).