1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

C20H23F3N4O — CID 23609121

IUPAC1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)17-8-4-5-9-18(17)25-19(28)24-10-11-26-12-14-27(15-13-26)16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,24,25,28)
InChIKeyZVJSBTNHXRCDAI-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 23609121) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID23609121
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)17-8-4-5-9-18(17)25-19(28)24-10-11-26-12-14-27(15-13-26)16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,24,25,28)
InChIKeyZVJSBTNHXRCDAI-UHFFFAOYSA-N
XLogP3.65
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 23609121) is 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZVJSBTNHXRCDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c21-20(22,23)17-8-4-5-9-18(17)25-19(28)24-10-11-26-12-14-27(15-13-26)16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,24,25,28).
What are the key properties of 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 392.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 23609121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).