N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide

C22H25FN4O4 — CID 4528259

IUPACN'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN4O4/c1-31-19-8-2-16(3-9-19)22(30)25-24-20(28)10-11-21(29)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3,(H,24,28)(H,25,30)
InChIKeyPVNYZOMVJRXAPG-UHFFFAOYSA-N
MW428.46 g/mol
LogP1.72
Rot. Bonds6

About N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide

N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide (PubChem CID 4528259) has the molecular formula C22H25FN4O4 and a molecular weight of 428.46 g/mol. Its IUPAC name is N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide
PubChem CID4528259
Molecular FormulaC22H25FN4O4
Molecular Weight428.46 g/mol
Exact Mass428.19
IUPAC NameN'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN4O4/c1-31-19-8-2-16(3-9-19)22(30)25-24-20(28)10-11-21(29)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3,(H,24,28)(H,25,30)
InChIKeyPVNYZOMVJRXAPG-UHFFFAOYSA-N
XLogP1.72
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]benzohydrazide
CID 3304231
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793
3-[2-(4-fluorophenyl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109025121
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
CID 3622193
(E)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9082041
(4-fluorophenyl)methyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593037
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide (CID 4528259) is N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide?
The InChIKey is PVNYZOMVJRXAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4/c1-31-19-8-2-16(3-9-19)22(30)25-24-20(28)10-11-21(29)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3,(H,24,28)(H,25,30).
What are the key properties of N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide?
N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide has a molecular weight of 428.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 4528259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).