1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

C18H20F3N3O4 — CID 118409096

IUPAC1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2=COCC2)CC1
InChIInChI=1S/C18H20F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,11,14H,5-10H2,(H2,22,23,26)
InChIKeySMHPRXGGKKOZAK-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.00
Rot. Bonds4

About 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 118409096) has the molecular formula C18H20F3N3O4 and a molecular weight of 399.37 g/mol. Its IUPAC name is 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID118409096
Molecular FormulaC18H20F3N3O4
Molecular Weight399.37 g/mol
Exact Mass399.14
IUPAC Name1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2=COCC2)CC1
InChIInChI=1S/C18H20F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,11,14H,5-10H2,(H2,22,23,26)
InChIKeySMHPRXGGKKOZAK-UHFFFAOYSA-N
XLogP3.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
EC-5026
CID 91933845
1-(1-Methanesulfonylpiperidin-4-yl)-3-(4-trifluoromethoxyphenyl)urea
CID 25093353
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 25093352
1-Cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 4799088
1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 45888834
1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780366
1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780367
1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783004
1-[1-(Furan-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696183
8-(2-ethylbutanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566538

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 118409096) is 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2=COCC2)CC1.
What is the InChIKey of 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is SMHPRXGGKKOZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,11,14H,5-10H2,(H2,22,23,26).
What are the key properties of 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 399.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 118409096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).