N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide

C19H22FN4O2+ — CID 8703830

IUPACN'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
SMILESO=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H21FN4O2/c20-16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-18(25)21-22-19(26)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,25)(H,22,26)/p+1
InChIKeyJCNIKYGFWQLLIB-UHFFFAOYSA-O
MW357.41 g/mol
LogP-0.01
Rot. Bonds4

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

N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide (PubChem CID 8703830) has the molecular formula C19H22FN4O2+ and a molecular weight of 357.41 g/mol. Its IUPAC name is N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
PubChem CID8703830
Molecular FormulaC19H22FN4O2+
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
SMILESO=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H21FN4O2/c20-16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-18(25)21-22-19(26)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,25)(H,22,26)/p+1
InChIKeyJCNIKYGFWQLLIB-UHFFFAOYSA-O
XLogP-0.01
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8592125
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 2697479
N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2172531
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8704079
N'-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 9288222
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
N-(3,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958471
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9346465
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6978065
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 7022975

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide (CID 8703830) is N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide is O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The InChIKey is JCNIKYGFWQLLIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN4O2/c20-16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-18(25)21-22-19(26)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,25)(H,22,26)/p+1.
What are the key properties of N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide has a molecular weight of 357.41 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 8703830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).