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

C15H18F3N3O3 — CID 25093352

IUPAC1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
InChIKeyUAKAZEQUWPXSOS-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.72
Rot. Bonds3

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

1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 25093352) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID25093352
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
InChIKeyUAKAZEQUWPXSOS-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 25093352) is 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea is CC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is UAKAZEQUWPXSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 345.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 25093352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).