4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

C19H21F3N4O — CID 91809801

IUPAC4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1
InChIInChI=1S/C19H21F3N4O/c1-12-3-5-14(6-4-12)18(27)25-15-7-9-26(10-8-15)17-11-16(19(20,21)22)23-13(2)24-17/h3-6,11,15H,7-10H2,1-2H3,(H,25,27)
InChIKeyNAOISVSOTSUXHD-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.51
Rot. Bonds3

About 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91809801) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91809801
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1
InChIInChI=1S/C19H21F3N4O/c1-12-3-5-14(6-4-12)18(27)25-15-7-9-26(10-8-15)17-11-16(19(20,21)22)23-13(2)24-17/h3-6,11,15H,7-10H2,1-2H3,(H,25,27)
InChIKeyNAOISVSOTSUXHD-UHFFFAOYSA-N
XLogP3.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91809801) is 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is NAOISVSOTSUXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12-3-5-14(6-4-12)18(27)25-15-7-9-26(10-8-15)17-11-16(19(20,21)22)23-13(2)24-17/h3-6,11,15H,7-10H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 378.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).