N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide

C18H19F3N4O2 — CID 122299773

IUPACN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCC1CCN(c2ncc(NC(=O)c3ccc(OC(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C18H19F3N4O2/c1-12-6-8-25(9-7-12)17-22-10-14(11-23-17)24-16(26)13-2-4-15(5-3-13)27-18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,24,26)
InChIKeyHODRJKUGMWPPSE-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 122299773) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
PubChem CID122299773
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCC1CCN(c2ncc(NC(=O)c3ccc(OC(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C18H19F3N4O2/c1-12-6-8-25(9-7-12)17-22-10-14(11-23-17)24-16(26)13-2-4-15(5-3-13)27-18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,24,26)
InChIKeyHODRJKUGMWPPSE-UHFFFAOYSA-N
XLogP3.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
CID 122298622
3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299547
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122297980
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
6-[(3R)-3-methylpyrrolidin-1-yl]-5-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 121335564
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide (CID 122299773) is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide is CC1CCN(c2ncc(NC(=O)c3ccc(OC(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is HODRJKUGMWPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-12-6-8-25(9-7-12)17-22-10-14(11-23-17)24-16(26)13-2-4-15(5-3-13)27-18(19,20)21/h2-5,10-12H,6-9H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122299773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).