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

C23H28N4O4 — CID 7891748

IUPACN'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCC(=O)c1ccc(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-18(28)19-7-9-21(10-8-19)31-17-23(30)25-24-22(29)11-12-26-13-15-27(16-14-26)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,24,29)(H,25,30)
InChIKeyMMJGZLFGAXARDD-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.63
Rot. Bonds8

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

N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (PubChem CID 7891748) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
PubChem CID7891748
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCC(=O)c1ccc(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-18(28)19-7-9-21(10-8-19)31-17-23(30)25-24-22(29)11-12-26-13-15-27(16-14-26)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,24,29)(H,25,30)
InChIKeyMMJGZLFGAXARDD-UHFFFAOYSA-N
XLogP1.63
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
CID 7551063
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide
CID 18281862
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
1-[4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenyl]ethanone
CID 8591809
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
3-(phenoxymethyl)-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide
CID 26523365
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The IUPAC name of N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (CID 7891748) is N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is CC(=O)c1ccc(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The InChIKey is MMJGZLFGAXARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-18(28)19-7-9-21(10-8-19)31-17-23(30)25-24-22(29)11-12-26-13-15-27(16-14-26)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide has a molecular weight of 424.50 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 7891748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).