1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea

C13H15F4N3O — CID 82794523

IUPAC1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C13H15F4N3O/c14-8-1-3-9(4-2-8)19-12(21)20-10-5-6-11(18-7-10)13(15,16)17/h1-4,10-11,18H,5-7H2,(H2,19,20,21)
InChIKeyQNUIUCILWYMBTC-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.63
Rot. Bonds2

About 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea

1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea (PubChem CID 82794523) has the molecular formula C13H15F4N3O and a molecular weight of 305.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea
PubChem CID82794523
Molecular FormulaC13H15F4N3O
Molecular Weight305.27 g/mol
Exact Mass305.12
IUPAC Name1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C13H15F4N3O/c14-8-1-3-9(4-2-8)19-12(21)20-10-5-6-11(18-7-10)13(15,16)17/h1-4,10-11,18H,5-7H2,(H2,19,20,21)
InChIKeyQNUIUCILWYMBTC-UHFFFAOYSA-N
XLogP2.63
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea
CID 82810862
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)urea
CID 7236834
4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
CID 82811943
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
CID 174569625
1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107585253
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea (CID 82794523) is 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea is O=C(Nc1ccc(F)cc1)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
The InChIKey is QNUIUCILWYMBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O/c14-8-1-3-9(4-2-8)19-12(21)20-10-5-6-11(18-7-10)13(15,16)17/h1-4,10-11,18H,5-7H2,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea has a molecular weight of 305.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea is sourced from PubChem (CID 82794523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).