N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide

C19H22F3N5O2+2 — CID 9288222

IUPACN'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide
SMILESO=C(C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H20F3N5O2/c20-19(21,22)15-6-7-16(23-12-15)27-10-8-26(9-11-27)13-17(28)24-25-18(29)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,28)(H,25,29)/p+2
InChIKeyHVPKTRYUDUETLU-UHFFFAOYSA-P
MW409.41 g/mol
LogP-0.31
Rot. Bonds4

About N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide

N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide (PubChem CID 9288222) has the molecular formula C19H22F3N5O2+2 and a molecular weight of 409.41 g/mol. Its IUPAC name is N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide
PubChem CID9288222
Molecular FormulaC19H22F3N5O2+2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC NameN'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide
SMILESO=C(C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H20F3N5O2/c20-19(21,22)15-6-7-16(23-12-15)27-10-8-26(9-11-27)13-17(28)24-25-18(29)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,28)(H,25,29)/p+2
InChIKeyHVPKTRYUDUETLU-UHFFFAOYSA-P
XLogP-0.31
TPSA80.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288424
N-cyclohexyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288514
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288488
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 8007055
N-[(1R)-1-thiophen-2-ylethyl]-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288366
N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8703830
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 2533242
methyl 4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzoate
CID 9288374
N-(2-cyanoethyl)-N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288409
N-(2-methoxy-5-methylphenyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288400
1-benzhydryl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium
CID 7210963
N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8592125

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide (CID 9288222) is N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide is O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The InChIKey is HVPKTRYUDUETLU-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H20F3N5O2/c20-19(21,22)15-6-7-16(23-12-15)27-10-8-26(9-11-27)13-17(28)24-25-18(29)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,28)(H,25,29)/p+2.
What are the key properties of N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide?
N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide has a molecular weight of 409.41 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 9288222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).