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

C15H18F3N3O2 — CID 24899524

IUPAC1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)
InChIKeyWGDIJYGQSIUZOV-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.84
Rot. Bonds2

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

1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 24899524) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID24899524
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)
InChIKeyWGDIJYGQSIUZOV-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 24899524) is 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea is CC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is WGDIJYGQSIUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[4-(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-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 24899524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).