N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C18H19F3N4O — CID 91892428

IUPACN-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C18H19F3N4O/c1-12-2-4-14(5-3-12)24-17(26)13-6-8-25(9-7-13)16-10-15(18(19,20)21)22-11-23-16/h2-5,10-11,13H,6-9H2,1H3,(H,24,26)
InChIKeySDOSMHQZOQEKDI-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.66
Rot. Bonds3

About N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892428) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892428
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C18H19F3N4O/c1-12-2-4-14(5-3-12)24-17(26)13-6-8-25(9-7-13)16-10-15(18(19,20)21)22-11-23-16/h2-5,10-11,13H,6-9H2,1H3,(H,24,26)
InChIKeySDOSMHQZOQEKDI-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

C-1368
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N-(6-(4-methylpiperidin-1-yl)pyrimidin-4-yl)benzamide
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4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(4-(trifluoromethyl)phenyl)benzamide
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(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
Uzh2
CID 156587343
4-[4-[(4,4-Dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587344
4-[4-[(4,4-Dimethylpiperidin-1-yl)methyl]-3-fluorophenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587345
4-[4-[(4,4-Dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156596351
8-[4-[(4,4-Dimethylpiperidin-1-yl)methyl]phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one
CID 166132582
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892428) is N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is SDOSMHQZOQEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-2-4-14(5-3-12)24-17(26)13-6-8-25(9-7-13)16-10-15(18(19,20)21)22-11-23-16/h2-5,10-11,13H,6-9H2,1H3,(H,24,26).
What are the key properties of N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).