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

C22H27FN4O2 — CID 4869354

IUPAC3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Cc1ccccc1F
InChIInChI=1S/C22H27FN4O2/c23-20-9-5-4-8-19(20)16-22(29)25-24-21(28)10-11-26-12-14-27(15-13-26)17-18-6-2-1-3-7-18/h1-9H,10-17H2,(H,24,28)(H,25,29)
InChIKeyKAUIXXNPIBDABA-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.72
Rot. Bonds7

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

3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide (PubChem CID 4869354) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
PubChem CID4869354
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Cc1ccccc1F
InChIInChI=1S/C22H27FN4O2/c23-20-9-5-4-8-19(20)16-22(29)25-24-21(28)10-11-26-12-14-27(15-13-26)17-18-6-2-1-3-7-18/h1-9H,10-17H2,(H,24,28)(H,25,29)
InChIKeyKAUIXXNPIBDABA-UHFFFAOYSA-N
XLogP1.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea
CID 18871059
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2-fluorophenyl)propanamide
CID 110625525
N-[2-(2-fluorophenyl)ethyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109024662
1-[4-(4-benzylpiperazin-1-yl)butyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111266646

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide (CID 4869354) is 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide is O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Cc1ccccc1F.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide?
The InChIKey is KAUIXXNPIBDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-20-9-5-4-8-19(20)16-22(29)25-24-21(28)10-11-26-12-14-27(15-13-26)17-18-6-2-1-3-7-18/h1-9H,10-17H2,(H,24,28)(H,25,29).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide?
3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide has a molecular weight of 398.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 4869354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).