4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

C17H18F3N3O2 — CID 135860413

IUPAC4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCN1CCCC(c2cc(=O)[nH]c(-c3cccc(OC(F)(F)F)c3)n2)C1
InChIInChI=1S/C17H18F3N3O2/c1-23-7-3-5-12(10-23)14-9-15(24)22-16(21-14)11-4-2-6-13(8-11)25-17(18,19)20/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,21,22,24)
InChIKeyPICSXVBPRCIXGR-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.14
Rot. Bonds3

About 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 135860413) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID135860413
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCN1CCCC(c2cc(=O)[nH]c(-c3cccc(OC(F)(F)F)c3)n2)C1
InChIInChI=1S/C17H18F3N3O2/c1-23-7-3-5-12(10-23)14-9-15(24)22-16(21-14)11-4-2-6-13(8-11)25-17(18,19)20/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,21,22,24)
InChIKeyPICSXVBPRCIXGR-UHFFFAOYSA-N
XLogP3.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 136860130
4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 135876465
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765709
4-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765637
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765718
4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765736
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
CID 67133238
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
2-pyridin-3-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673524

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 135860413) is 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is CN1CCCC(c2cc(=O)[nH]c(-c3cccc(OC(F)(F)F)c3)n2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is PICSXVBPRCIXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-23-7-3-5-12(10-23)14-9-15(24)22-16(21-14)11-4-2-6-13(8-11)25-17(18,19)20/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,21,22,24).
What are the key properties of 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 353.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135860413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).