N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide

C23H28F3N3O — CID 59840242

IUPACN-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(CCCCNC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H28F3N3O/c1-28-14-16-29(17-15-28)13-5-4-12-27-22(30)19-10-8-18(9-11-19)20-6-2-3-7-21(20)23(24,25)26/h2-3,6-11H,4-5,12-17H2,1H3,(H,27,30)
InChIKeyFSEGJZYKPDIMEL-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.13
Rot. Bonds7

About N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide

N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 59840242) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID59840242
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(CCCCNC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H28F3N3O/c1-28-14-16-29(17-15-28)13-5-4-12-27-22(30)19-10-8-18(9-11-19)20-6-2-3-7-21(20)23(24,25)26/h2-3,6-11H,4-5,12-17H2,1H3,(H,27,30)
InChIKeyFSEGJZYKPDIMEL-UHFFFAOYSA-N
XLogP4.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
CID 45484368
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide (CID 59840242) is N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide is CN1CCN(CCCCNC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FSEGJZYKPDIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c1-28-14-16-29(17-15-28)13-5-4-12-27-22(30)19-10-8-18(9-11-19)20-6-2-3-7-21(20)23(24,25)26/h2-3,6-11H,4-5,12-17H2,1H3,(H,27,30).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide?
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59840242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).