N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride

C15H21ClF3N3O — CID 119391119

IUPACN-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O.ClH/c16-15(17,18)13-4-2-12(3-5-13)14(22)20-6-1-9-21-10-7-19-8-11-21;/h2-5,19H,1,6-11H2,(H,20,22);1H
InChIKeySRLQJZYLOIGSGB-UHFFFAOYSA-N
MW351.80 g/mol
LogP2.15
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride

N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119391119) has the molecular formula C15H21ClF3N3O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119391119
Molecular FormulaC15H21ClF3N3O
Molecular Weight351.80 g/mol
Exact Mass351.13
IUPAC NameN-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O.ClH/c16-15(17,18)13-4-2-12(3-5-13)14(22)20-6-1-9-21-10-7-19-8-11-21;/h2-5,19H,1,6-11H2,(H,20,22);1H
InChIKeySRLQJZYLOIGSGB-UHFFFAOYSA-N
XLogP2.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-(difluoromethylsulfanyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392818
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119392989
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride (CID 119391119) is N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is SRLQJZYLOIGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O.ClH/c16-15(17,18)13-4-2-12(3-5-13)14(22)20-6-1-9-21-10-7-19-8-11-21;/h2-5,19H,1,6-11H2,(H,20,22);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 351.80 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119391119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).