3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide

C15H24N4O2 — CID 103229457

IUPAC3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-4-3-5-13(10-12)18-6-8-19(9-7-18)14(11-21-2)15(20)17-16/h3-5,10,14H,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyLRLXNJNFBSWPFA-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.12
Rot. Bonds5

About 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide

3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide (PubChem CID 103229457) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
PubChem CID103229457
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-4-3-5-13(10-12)18-6-8-19(9-7-18)14(11-21-2)15(20)17-16/h3-5,10,14H,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyLRLXNJNFBSWPFA-UHFFFAOYSA-N
XLogP0.12
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.12
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

3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 103224480
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 103225336
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
methyl 2-bromo-3-[4-(3-methylphenyl)piperazin-1-yl]propanoate
CID 81100689
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 76915536
N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108505043
3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
CID 63069110
N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 51281768

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide?
The IUPAC name of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide (CID 103229457) is 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide is COCC(C(=O)NN)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide?
The InChIKey is LRLXNJNFBSWPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-4-3-5-13(10-12)18-6-8-19(9-7-18)14(11-21-2)15(20)17-16/h3-5,10,14H,6-9,11,16H2,1-2H3,(H,17,20).
What are the key properties of 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide?
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide has a molecular weight of 292.38 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide is sourced from PubChem (CID 103229457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).