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

C17H17F3N4O — CID 91809746

IUPACN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)14-10-15(22-11-21-14)24-8-6-13(7-9-24)23-16(25)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,23,25)
InChIKeyMXFGZNKQNDRBPH-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.89
Rot. Bonds3

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

N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91809746) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91809746
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)14-10-15(22-11-21-14)24-8-6-13(7-9-24)23-16(25)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,23,25)
InChIKeyMXFGZNKQNDRBPH-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91809746) is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is MXFGZNKQNDRBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)14-10-15(22-11-21-14)24-8-6-13(7-9-24)23-16(25)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,23,25).
What are the key properties of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91809746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).