1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C12H15F3N4O — CID 44824534

IUPAC1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H15F3N4O/c1-7-6-9(12(13,14)15)18-11(17-7)19-4-2-8(3-5-19)10(16)20/h6,8H,2-5H2,1H3,(H2,16,20)
InChIKeyNMAPIHPBSZMFSZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.51
Rot. Bonds2

About 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 44824534) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID44824534
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H15F3N4O/c1-7-6-9(12(13,14)15)18-11(17-7)19-4-2-8(3-5-19)10(16)20/h6,8H,2-5H2,1H3,(H2,16,20)
InChIKeyNMAPIHPBSZMFSZ-UHFFFAOYSA-N
XLogP1.51
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-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

(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 26872050
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 131943333
[4-(hydroxymethyl)phenyl]-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 72852959
2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 124968809
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
1-(2-hydrazinyl-6-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 80917080
[(1R,2R,4S)-2-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone;hydrochloride
CID 154919416
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 21003576

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 44824534) is 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is Cc1cc(C(F)(F)F)nc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is NMAPIHPBSZMFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-7-6-9(12(13,14)15)18-11(17-7)19-4-2-8(3-5-19)10(16)20/h6,8H,2-5H2,1H3,(H2,16,20).
What are the key properties of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 44824534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).