N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide

C18H19F3N4O3 — CID 136666555

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(OC(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H19F3N4O3/c1-11-9-15(26)24-17(22-11)25-7-5-13(6-8-25)23-16(27)12-3-2-4-14(10-12)28-18(19,20)21/h2-4,9-10,13H,5-8H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyGEKRLQCZQLPAGQ-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide (PubChem CID 136666555) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
PubChem CID136666555
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(OC(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H19F3N4O3/c1-11-9-15(26)24-17(22-11)25-7-5-13(6-8-25)23-16(27)12-3-2-4-14(10-12)28-18(19,20)21/h2-4,9-10,13H,5-8H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyGEKRLQCZQLPAGQ-UHFFFAOYSA-N
XLogP2.38
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
CID 136662623
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
CID 136962362
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136666562
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 139001144
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-3-[4-(2H-tetrazol-5-yl)anilino]benzamide
CID 167771011
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
CID 69105937
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide (CID 136666555) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3cccc(OC(F)(F)F)c3)CC2)n1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide?
The InChIKey is GEKRLQCZQLPAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-11-9-15(26)24-17(22-11)25-7-5-13(6-8-25)23-16(27)12-3-2-4-14(10-12)28-18(19,20)21/h2-4,9-10,13H,5-8H2,1H3,(H,23,27)(H,22,24,26).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide has a molecular weight of 396.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 136666555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).