4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide

C17H26N4O3 — CID 4740634

IUPAC4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide
SMILESCOc1ccc(C(C)N2CCN(C(=O)CCC(=O)NN)CC2)cc1
InChIInChI=1S/C17H26N4O3/c1-13(14-3-5-15(24-2)6-4-14)20-9-11-21(12-10-20)17(23)8-7-16(22)19-18/h3-6,13H,7-12,18H2,1-2H3,(H,19,22)
InChIKeyXUWASBUHUDTXGD-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.67
Rot. Bonds6

About 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide

4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide (PubChem CID 4740634) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide
PubChem CID4740634
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide
SMILESCOc1ccc(C(C)N2CCN(C(=O)CCC(=O)NN)CC2)cc1
InChIInChI=1S/C17H26N4O3/c1-13(14-3-5-15(24-2)6-4-14)20-9-11-21(12-10-20)17(23)8-7-16(22)19-18/h3-6,13H,7-12,18H2,1-2H3,(H,19,22)
InChIKeyXUWASBUHUDTXGD-UHFFFAOYSA-N
XLogP0.67
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid
CID 2051092
2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 4740636
4-[4-[1-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771200
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81368251
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119894437
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
7-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]heptan-1-one
CID 119894426
5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide
CID 4740571
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate
CID 107876844
3-(2-aminophenyl)-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 120612989
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide?
The IUPAC name of 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide (CID 4740634) is 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide.
What is the SMILES notation for 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide?
The canonical SMILES for 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide is COc1ccc(C(C)N2CCN(C(=O)CCC(=O)NN)CC2)cc1.
What is the InChIKey of 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide?
The InChIKey is XUWASBUHUDTXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(14-3-5-15(24-2)6-4-14)20-9-11-21(12-10-20)17(23)8-7-16(22)19-18/h3-6,13H,7-12,18H2,1-2H3,(H,19,22).
What are the key properties of 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide?
4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide has a molecular weight of 334.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide is sourced from PubChem (CID 4740634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).