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

C16H19F4N3O3 — CID 118409172

IUPAC1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H19F4N3O3/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(12(17)9-11)26-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
InChIKeyDDSKNUPYSLTOOQ-UHFFFAOYSA-N
MW377.34 g/mol
LogP3.25
Rot. Bonds4

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

1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea (PubChem CID 118409172) has the molecular formula C16H19F4N3O3 and a molecular weight of 377.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea
PubChem CID118409172
Molecular FormulaC16H19F4N3O3
Molecular Weight377.34 g/mol
Exact Mass377.14
IUPAC Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H19F4N3O3/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(12(17)9-11)26-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
InChIKeyDDSKNUPYSLTOOQ-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea (CID 118409172) is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea is CCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea?
The InChIKey is DDSKNUPYSLTOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N3O3/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(12(17)9-11)26-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25).
What are the key properties of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea?
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea has a molecular weight of 377.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-(1-propanoylpiperidin-4-yl)urea is sourced from PubChem (CID 118409172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).