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

C17H18ClF3N4O — CID 119494232

IUPACN-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N4O.ClH/c18-17(19,20)14-4-2-1-3-13(14)16(25)23-15-6-5-12(11-22-15)24-9-7-21-8-10-24;/h1-6,11,21H,7-10H2,(H,22,23,25);1H
InChIKeyHNYGNFUOQUWJDI-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.18
Rot. Bonds3

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

N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119494232) 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)-2-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119494232
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC NameN-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N4O.ClH/c18-17(19,20)14-4-2-1-3-13(14)16(25)23-15-6-5-12(11-22-15)24-9-7-21-8-10-24;/h1-6,11,21H,7-10H2,(H,22,23,25);1H
InChIKeyHNYGNFUOQUWJDI-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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Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride (CID 119494232) is N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-piperazin-1-yl-2-pyridinyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is HNYGNFUOQUWJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O.ClH/c18-17(19,20)14-4-2-1-3-13(14)16(25)23-15-6-5-12(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)-2-(trifluoromethyl)benzamide;hydrochloride?
N-(5-piperazin-1-yl-2-pyridinyl)-2-(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)-2-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119494232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).