N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide

C17H17F3N4O2 — CID 122298622

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)26-14-6-4-12(5-7-14)15(25)23-13-10-21-16(22-11-13)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,23,25)
InChIKeyIXWJIFYUAFLNKG-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.62
Rot. Bonds4

About N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide

N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 122298622) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID122298622
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)26-14-6-4-12(5-7-14)15(25)23-13-10-21-16(22-11-13)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,23,25)
InChIKeyIXWJIFYUAFLNKG-UHFFFAOYSA-N
XLogP3.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122299773
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122297980
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide (CID 122298622) is N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is IXWJIFYUAFLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)26-14-6-4-12(5-7-14)15(25)23-13-10-21-16(22-11-13)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,23,25).
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide?
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122298622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).