N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide

C25H26F3N5O2 — CID 24861727

IUPACN-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2nc(-c3ccccc3C)n(-c3ccc(C(F)(F)F)cc3)c(=O)n2)CC1
InChIInChI=1S/C25H26F3N5O2/c1-3-21(34)29-18-12-14-32(15-13-18)23-30-22(20-7-5-4-6-16(20)2)33(24(35)31-23)19-10-8-17(9-11-19)25(26,27)28/h4-11,18H,3,12-15H2,1-2H3,(H,29,34)
InChIKeyZEHIBGQJZAGSBQ-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide

N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide (PubChem CID 24861727) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide
PubChem CID24861727
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2nc(-c3ccccc3C)n(-c3ccc(C(F)(F)F)cc3)c(=O)n2)CC1
InChIInChI=1S/C25H26F3N5O2/c1-3-21(34)29-18-12-14-32(15-13-18)23-30-22(20-7-5-4-6-16(20)2)33(24(35)31-23)19-10-8-17(9-11-19)25(26,27)28/h4-11,18H,3,12-15H2,1-2H3,(H,29,34)
InChIKeyZEHIBGQJZAGSBQ-UHFFFAOYSA-N
XLogP4.12
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide (CID 24861727) is N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2nc(-c3ccccc3C)n(-c3ccc(C(F)(F)F)cc3)c(=O)n2)CC1.
What is the InChIKey of N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide?
The InChIKey is ZEHIBGQJZAGSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-3-21(34)29-18-12-14-32(15-13-18)23-30-22(20-7-5-4-6-16(20)2)33(24(35)31-23)19-10-8-17(9-11-19)25(26,27)28/h4-11,18H,3,12-15H2,1-2H3,(H,29,34).
What are the key properties of N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide?
N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide has a molecular weight of 485.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylphenyl)-6-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 24861727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).