4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide

C23H27FN4O3 — CID 3622193

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
SMILESO=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)CCc1ccccc1
InChIInChI=1S/C23H27FN4O3/c24-19-7-9-20(10-8-19)27-14-16-28(17-15-27)23(31)13-12-22(30)26-25-21(29)11-6-18-4-2-1-3-5-18/h1-5,7-10H,6,11-17H2,(H,25,29)(H,26,30)
InChIKeyTXNUVWDPWXZCBE-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.03
Rot. Bonds7

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide

4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide (PubChem CID 3622193) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
PubChem CID3622193
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
SMILESO=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)CCc1ccccc1
InChIInChI=1S/C23H27FN4O3/c24-19-7-9-20(10-8-19)27-14-16-28(17-15-27)23(31)13-12-22(30)26-25-21(29)11-6-18-4-2-1-3-5-18/h1-5,7-10H,6,11-17H2,(H,25,29)(H,26,30)
InChIKeyTXNUVWDPWXZCBE-UHFFFAOYSA-N
XLogP2.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.03
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

3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947922
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
4-bromo-N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]benzohydrazide
CID 3304231
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide
CID 4528259
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide
CID 3326442
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108985750
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096
3-[benzyl(propan-2-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027223

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide (CID 3622193) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide is O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)CCc1ccccc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide?
The InChIKey is TXNUVWDPWXZCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-19-7-9-20(10-8-19)27-14-16-28(17-15-27)23(31)13-12-22(30)26-25-21(29)11-6-18-4-2-1-3-5-18/h1-5,7-10H,6,11-17H2,(H,25,29)(H,26,30).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide?
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide has a molecular weight of 426.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide is sourced from PubChem (CID 3622193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).