1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea

C15H20F3N3O — CID 4118259

IUPAC1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCN1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-5-4-6-13(11-12)20-14(22)19-7-10-21-8-2-1-3-9-21/h4-6,11H,1-3,7-10H2,(H2,19,20,22)
InChIKeyBTFHBAYZTAAWPH-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.31
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 4118259) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID4118259
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCN1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-5-4-6-13(11-12)20-14(22)19-7-10-21-8-2-1-3-9-21/h4-6,11H,1-3,7-10H2,(H2,19,20,22)
InChIKeyBTFHBAYZTAAWPH-UHFFFAOYSA-N
XLogP3.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fluometuron
CID 16562
Flibanserin
CID 6918248
1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
(3-Trifluoromethylphenyl)urea
CID 25712
Desmethylfluometuron
CID 98771
TFMPP hydrochloride
CID 3084246
1-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1-Benzyl-1-methyl-3-phenylurea
CID 306455
3-cyclohexyl-6-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 45100448
1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
1-(4-Fluorobenzyl)-3-phenylurea
CID 896691

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 4118259) is 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCCN1CCCCC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is BTFHBAYZTAAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)12-5-4-6-13(11-12)20-14(22)19-7-10-21-8-2-1-3-9-21/h4-6,11H,1-3,7-10H2,(H2,19,20,22).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 315.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 4118259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).