N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C18H19F3N4O2 — CID 166236139

IUPACN-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1nccc(NC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C18H19F3N4O2/c1-12-22-9-6-16(23-12)24-17(26)25-10-7-14(8-11-25)13-2-4-15(5-3-13)27-18(19,20)21/h2-6,9,14H,7-8,10-11H2,1H3,(H,22,23,24,26)
InChIKeyQJUAQUPVJQLPPJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.10
Rot. Bonds3

About N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 166236139) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID166236139
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1nccc(NC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C18H19F3N4O2/c1-12-22-9-6-16(23-12)24-17(26)25-10-7-14(8-11-25)13-2-4-15(5-3-13)27-18(19,20)21/h2-6,9,14H,7-8,10-11H2,1H3,(H,22,23,24,26)
InChIKeyQJUAQUPVJQLPPJ-UHFFFAOYSA-N
XLogP4.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 166236139) is N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is Cc1nccc(NC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)n1.
What is the InChIKey of N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is QJUAQUPVJQLPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-12-22-9-6-16(23-12)24-17(26)25-10-7-14(8-11-25)13-2-4-15(5-3-13)27-18(19,20)21/h2-6,9,14H,7-8,10-11H2,1H3,(H,22,23,24,26).
What are the key properties of N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166236139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).