1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C20H24F3N5O — CID 53165559

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H24F3N5O/c1-27(2)18-17(12-24-13-26-18)28-9-7-14(8-10-28)19(29)25-11-15-5-3-4-6-16(15)20(21,22)23/h3-6,12-14H,7-11H2,1-2H3,(H,25,29)
InChIKeyPVAOITFIUSDMEL-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 53165559) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID53165559
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H24F3N5O/c1-27(2)18-17(12-24-13-26-18)28-9-7-14(8-10-28)19(29)25-11-15-5-3-4-6-16(15)20(21,22)23/h3-6,12-14H,7-11H2,1-2H3,(H,25,29)
InChIKeyPVAOITFIUSDMEL-UHFFFAOYSA-N
XLogP3.09
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53165799
1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261927
1-[4,6-bis[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261925
1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 87050810
1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261618
1-[2-methyl-6-(methylamino)-4-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655311
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165808
1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447717
tert-butyl-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]carbamic acid
CID 67331195
1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 50819631
N-benzyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165874
1-[4-(methylamino)-6-thiophen-3-yl-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261291

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 53165559) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CN(C)c1ncncc1N1CCC(C(=O)NCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PVAOITFIUSDMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c1-27(2)18-17(12-24-13-26-18)28-9-7-14(8-10-28)19(29)25-11-15-5-3-4-6-16(15)20(21,22)23/h3-6,12-14H,7-11H2,1-2H3,(H,25,29).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53165559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).