N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide

C18H18F3N3O — CID 53433016

IUPACN-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)15-5-4-8-17(13-15)24(14-25)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13-14H,9-12H2
InChIKeyFWUCGSIFKPYVSP-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.41
Rot. Bonds4

About N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide

N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide (PubChem CID 53433016) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide
PubChem CID53433016
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)15-5-4-8-17(13-15)24(14-25)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13-14H,9-12H2
InChIKeyFWUCGSIFKPYVSP-UHFFFAOYSA-N
XLogP3.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide (CID 53433016) is N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide is O=CN(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide?
The InChIKey is FWUCGSIFKPYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)15-5-4-8-17(13-15)24(14-25)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13-14H,9-12H2.
What are the key properties of N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide?
N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide has a molecular weight of 349.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 53433016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).