N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride

C17H18ClF3N4O — CID 119494136

IUPACN-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N4O.ClH/c18-17(19,20)13-3-1-12(2-4-13)16(25)23-15-6-5-14(11-22-15)24-9-7-21-8-10-24;/h1-6,11,21H,7-10H2,(H,22,23,25);1H
InChIKeySYKAOXXBLCHKIC-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.18
Rot. Bonds3

About N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride

N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119494136) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119494136
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC NameN-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N4O.ClH/c18-17(19,20)13-3-1-12(2-4-13)16(25)23-15-6-5-14(11-22-15)24-9-7-21-8-10-24;/h1-6,11,21H,7-10H2,(H,22,23,25);1H
InChIKeySYKAOXXBLCHKIC-UHFFFAOYSA-N
XLogP3.18
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119494232
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 119494193
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178

Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride (CID 119494136) is N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is SYKAOXXBLCHKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O.ClH/c18-17(19,20)13-3-1-12(2-4-13)16(25)23-15-6-5-14(11-22-15)24-9-7-21-8-10-24;/h1-6,11,21H,7-10H2,(H,22,23,25);1H.
What are the key properties of N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride?
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 386.81 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119494136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).