N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C22H25F3N4O2 — CID 67007568

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2cnc(-c3cccc(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C22H25F3N4O2/c1-21(2,3)20(31)29-9-7-17(8-10-29)28-19(30)15-12-26-18(27-13-15)14-5-4-6-16(11-14)22(23,24)25/h4-6,11-13,17H,7-10H2,1-3H3,(H,28,30)
InChIKeyWQONHNSGNVKJOG-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.93
Rot. Bonds3

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 67007568) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID67007568
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2cnc(-c3cccc(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C22H25F3N4O2/c1-21(2,3)20(31)29-9-7-17(8-10-29)28-19(30)15-12-26-18(27-13-15)14-5-4-6-16(11-14)22(23,24)25/h4-6,11-13,17H,7-10H2,1-3H3,(H,28,30)
InChIKeyWQONHNSGNVKJOG-UHFFFAOYSA-N
XLogP3.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]pyrimidin-2-yl]benzoate
CID 67006710
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 67007292
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 154654049
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 67007568) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is CC(C)(C)C(=O)N1CCC(NC(=O)c2cnc(-c3cccc(C(F)(F)F)c3)nc2)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is WQONHNSGNVKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-21(2,3)20(31)29-9-7-17(8-10-29)28-19(30)15-12-26-18(27-13-15)14-5-4-6-16(11-14)22(23,24)25/h4-6,11-13,17H,7-10H2,1-3H3,(H,28,30).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 67007568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).