4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile

C24H25F3N4O — CID 155384378

IUPAC4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile
SMILESN#Cc1ccc(NC2(C(=O)N3CCN(c4ccccc4C(F)(F)F)CC3)CCCC2)cc1
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)20-5-1-2-6-21(20)30-13-15-31(16-14-30)22(32)23(11-3-4-12-23)29-19-9-7-18(17-28)8-10-19/h1-2,5-10,29H,3-4,11-16H2
InChIKeyHHVXCOQOBADPTK-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.65
Rot. Bonds4

About 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile

4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile (PubChem CID 155384378) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile
PubChem CID155384378
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile
SMILESN#Cc1ccc(NC2(C(=O)N3CCN(c4ccccc4C(F)(F)F)CC3)CCCC2)cc1
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)20-5-1-2-6-21(20)30-13-15-31(16-14-30)22(32)23(11-3-4-12-23)29-19-9-7-18(17-28)8-10-19/h1-2,5-10,29H,3-4,11-16H2
InChIKeyHHVXCOQOBADPTK-UHFFFAOYSA-N
XLogP4.65
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile?
The IUPAC name of 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile (CID 155384378) is 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile.
What is the SMILES notation for 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile?
The canonical SMILES for 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile is N#Cc1ccc(NC2(C(=O)N3CCN(c4ccccc4C(F)(F)F)CC3)CCCC2)cc1.
What is the InChIKey of 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile?
The InChIKey is HHVXCOQOBADPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c25-24(26,27)20-5-1-2-6-21(20)30-13-15-31(16-14-30)22(32)23(11-3-4-12-23)29-19-9-7-18(17-28)8-10-19/h1-2,5-10,29H,3-4,11-16H2.
What are the key properties of 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile?
4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile has a molecular weight of 442.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclopentyl]amino]benzonitrile is sourced from PubChem (CID 155384378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).