N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide

C21H26FN4O2+ — CID 7550967

IUPACN'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
SMILESO=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c22-18-6-4-5-17(15-18)16-21(28)24-23-20(27)9-10-25-11-13-26(14-12-25)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2,(H,23,27)(H,24,28)/p+1
InChIKeyLABJFJLQEAYQRT-UHFFFAOYSA-O
MW385.46 g/mol
LogP0.31
Rot. Bonds6

About N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide

N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide (PubChem CID 7550967) has the molecular formula C21H26FN4O2+ and a molecular weight of 385.46 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
PubChem CID7550967
Molecular FormulaC21H26FN4O2+
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
SMILESO=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c22-18-6-4-5-17(15-18)16-21(28)24-23-20(27)9-10-25-11-13-26(14-12-25)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2,(H,23,27)(H,24,28)/p+1
InChIKeyLABJFJLQEAYQRT-UHFFFAOYSA-O
XLogP0.31
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.31
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-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide 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

3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891809
1-(3,5-dimethylphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea
CID 8614651
5-chloro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 9150982
4-(difluoromethoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891743
(2S)-2-(3-methylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide
CID 7550974
3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,2-oxazole-4-carbohydrazide
CID 2649187
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
3-(4-phenylpiperazin-1-ium-1-yl)-N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]propanehydrazide
CID 9150830
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7955742
1-(4-ethoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea
CID 8614583
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
CID 9150896

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
The IUPAC name of N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide (CID 7550967) is N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide is O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
The InChIKey is LABJFJLQEAYQRT-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25FN4O2/c22-18-6-4-5-17(15-18)16-21(28)24-23-20(27)9-10-25-11-13-26(14-12-25)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2,(H,23,27)(H,24,28)/p+1.
What are the key properties of N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide has a molecular weight of 385.46 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide is sourced from PubChem (CID 7550967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).