N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide

C19H24F3N4O+ — CID 8001169

IUPACN-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
SMILESN#CC1(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-4-3-5-16(12-15)26-10-8-25(9-11-26)13-17(27)24-18(14-23)6-1-2-7-18/h3-5,12H,1-2,6-11,13H2,(H,24,27)/p+1
InChIKeyRCROXZGYXLBAGQ-UHFFFAOYSA-O
MW381.42 g/mol
LogP1.36
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 8001169) has the molecular formula C19H24F3N4O+ and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
PubChem CID8001169
Molecular FormulaC19H24F3N4O+
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
SMILESN#CC1(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-4-3-5-16(12-15)26-10-8-25(9-11-26)13-17(27)24-18(14-23)6-1-2-7-18/h3-5,12H,1-2,6-11,13H2,(H,24,27)/p+1
InChIKeyRCROXZGYXLBAGQ-UHFFFAOYSA-O
XLogP1.36
TPSA60.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocyclopentyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435604
N-[(2S)-butan-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8548223
N-[(2R)-pentan-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8548238
N-naphthalen-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8548032
N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547670
N-(2-methylpropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547713
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180
N-(furan-2-ylmethylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 2125852
N-(1-cyanocycloheptyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 30666896
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97011463
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6974857

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide (CID 8001169) is N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide is N#CC1(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is RCROXZGYXLBAGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23F3N4O/c20-19(21,22)15-4-3-5-16(12-15)26-10-8-25(9-11-26)13-17(27)24-18(14-23)6-1-2-7-18/h3-5,12H,1-2,6-11,13H2,(H,24,27)/p+1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 381.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8001169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).