1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

C15H18F3N3O2 — CID 24899016

IUPAC1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-10(22)21-7-5-12(6-8-21)19-14(23)20-13-4-2-3-11(9-13)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H2,19,20,23)
InChIKeyMJUXDVUGMMTXGZ-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.84
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 24899016) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID24899016
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-10(22)21-7-5-12(6-8-21)19-14(23)20-13-4-2-3-11(9-13)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H2,19,20,23)
InChIKeyMJUXDVUGMMTXGZ-UHFFFAOYSA-N
XLogP2.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fluometuron
CID 16562
Desmethylfluometuron
CID 98771
3-cyclohexyl-6-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 45100448
1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
1,1-Dimethyl-3-(3-methylphenyl)urea
CID 123428
Fluprazine
CID 71153
Ticarbodine
CID 3034015
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 24899016) is 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea is CC(=O)N1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is MJUXDVUGMMTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-10(22)21-7-5-12(6-8-21)19-14(23)20-13-4-2-3-11(9-13)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 329.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 24899016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).