4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H20F3N5O3 — CID 42154575

IUPAC4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(OC)n1
InChIInChI=1S/C18H20F3N5O3/c1-28-15-11-14(23-16(24-15)29-2)25-6-8-26(9-7-25)17(27)22-13-5-3-4-12(10-13)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,22,27)
InChIKeyHPWHOITZEKCKPI-UHFFFAOYSA-N
MW411.38 g/mol
LogP2.87
Rot. Bonds4

About 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 42154575) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID42154575
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(OC)n1
InChIInChI=1S/C18H20F3N5O3/c1-28-15-11-14(23-16(24-15)29-2)25-6-8-26(9-7-25)17(27)22-13-5-3-4-12(10-13)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,22,27)
InChIKeyHPWHOITZEKCKPI-UHFFFAOYSA-N
XLogP2.87
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 50944722
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 50944892
N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 121065315
4-[5-(dimethylamino)pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91968747
[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42154432
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 3820124
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
1-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 71702503

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 42154575) is 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(OC)n1.
What is the InChIKey of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is HPWHOITZEKCKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c1-28-15-11-14(23-16(24-15)29-2)25-6-8-26(9-7-25)17(27)22-13-5-3-4-12(10-13)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,22,27).
What are the key properties of 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 411.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 42154575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).