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

C11H12ClF3N4O — CID 106766914

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H12ClF3N4O/c12-7-5-8(18-10(17-7)11(13,14)15)19-3-1-6(2-4-19)9(16)20/h5-6H,1-4H2,(H2,16,20)
InChIKeyDWVRBKLUNOVWEA-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.85
Rot. Bonds2

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

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 106766914) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID106766914
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H12ClF3N4O/c12-7-5-8(18-10(17-7)11(13,14)15)19-3-1-6(2-4-19)9(16)20/h5-6H,1-4H2,(H2,16,20)
InChIKeyDWVRBKLUNOVWEA-UHFFFAOYSA-N
XLogP1.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-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

Methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate
CID 1481815
1-(4-Chloropyrimidin-2-yl)piperidine-4-carboxamide
CID 46907729
1-(2-Amino-6-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
1-(2-amino-6-chloropyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060469
1-[[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 15713198
1-[2-(Trifluoromethyl)-4-pyrimidinyl]-4-piperidinecarboxamide
CID 19008882
1-[4-Chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]piperidin-4-one
CID 132023455
1-[4-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 166070959
Bis(1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide);hydrate
CID 71359979
4-Chloro-6-(3-(trifluoromethyl)piperidin-1-yl)pyrimidin-2-amine
CID 42943704
4-Chloro-2-methyl-6-(3-(trifluoromethyl)piperidin-1-yl)pyrimidine
CID 62923248
4-Chloro-2-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidine
CID 65532946

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 106766914) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DWVRBKLUNOVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c12-7-5-8(18-10(17-7)11(13,14)15)19-3-1-6(2-4-19)9(16)20/h5-6H,1-4H2,(H2,16,20).
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 308.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 106766914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).