N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride

C15H18ClF6N3O — CID 119446681

IUPACN-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F6N3O.ClH/c16-14(17,18)11-7-10(8-12(9-11)15(19,20)21)13(25)23-3-6-24-4-1-22-2-5-24;/h7-9,22H,1-6H2,(H,23,25);1H
InChIKeyULBAFUDKCATETJ-UHFFFAOYSA-N
MW405.77 g/mol
LogP2.78
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride

N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119446681) has the molecular formula C15H18ClF6N3O and a molecular weight of 405.77 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
PubChem CID119446681
Molecular FormulaC15H18ClF6N3O
Molecular Weight405.77 g/mol
Exact Mass405.10
IUPAC NameN-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F6N3O.ClH/c16-14(17,18)11-7-10(8-12(9-11)15(19,20)21)13(25)23-3-6-24-4-1-22-2-5-24;/h7-9,22H,1-6H2,(H,23,25);1H
InChIKeyULBAFUDKCATETJ-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119448381
3-nitro-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)benzamide
CID 163362867
2-nitro-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzamide
CID 119448305
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 138001583
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
CID 119445325
1-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)urea
CID 108865910

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride (CID 119446681) is N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is ULBAFUDKCATETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F6N3O.ClH/c16-14(17,18)11-7-10(8-12(9-11)15(19,20)21)13(25)23-3-6-24-4-1-22-2-5-24;/h7-9,22H,1-6H2,(H,23,25);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 405.77 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119446681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).