N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride

C19H23Cl2F3N4O2 — CID 119448381

IUPACN-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCCN1CCNCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H21F3N4O2.2ClH/c20-19(21,22)15-3-6-17(25-13-15)28-16-4-1-14(2-5-16)18(27)24-9-12-26-10-7-23-8-11-26;;/h1-6,13,23H,7-12H2,(H,24,27);2*1H
InChIKeyLQIFQIIBQLLFGR-UHFFFAOYSA-N
MW467.32 g/mol
LogP3.37
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride

N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride (PubChem CID 119448381) has the molecular formula C19H23Cl2F3N4O2 and a molecular weight of 467.32 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
PubChem CID119448381
Molecular FormulaC19H23Cl2F3N4O2
Molecular Weight467.32 g/mol
Exact Mass466.12
IUPAC NameN-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
SMILESCl.Cl.O=C(NCCN1CCNCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H21F3N4O2.2ClH/c20-19(21,22)15-3-6-17(25-13-15)28-16-4-1-14(2-5-16)18(27)24-9-12-26-10-7-23-8-11-26;;/h1-6,13,23H,7-12H2,(H,24,27);2*1H
InChIKeyLQIFQIIBQLLFGR-UHFFFAOYSA-N
XLogP3.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-(furan-2-yl)ethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24544168
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119445796

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride (CID 119448381) is N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride is Cl.Cl.O=C(NCCN1CCNCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
The InChIKey is LQIFQIIBQLLFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2.2ClH/c20-19(21,22)15-3-6-17(25-13-15)28-16-4-1-14(2-5-16)18(27)24-9-12-26-10-7-23-8-11-26;;/h1-6,13,23H,7-12H2,(H,24,27);2*1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride?
N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride has a molecular weight of 467.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride is sourced from PubChem (CID 119448381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).