3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide

C15H24N4O — CID 63570945

IUPAC3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
SMILESCc1cccc(N2CCN(CCC(=O)NN)CC2)c1C
InChIInChI=1S/C15H24N4O/c1-12-4-3-5-14(13(12)2)19-10-8-18(9-11-19)7-6-15(20)17-16/h3-5H,6-11,16H2,1-2H3,(H,17,20)
InChIKeyKMXRDSPWDWBXDP-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.81
Rot. Bonds4

About 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide (PubChem CID 63570945) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
PubChem CID63570945
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
SMILESCc1cccc(N2CCN(CCC(=O)NN)CC2)c1C
InChIInChI=1S/C15H24N4O/c1-12-4-3-5-14(13(12)2)19-10-8-18(9-11-19)7-6-15(20)17-16/h3-5H,6-11,16H2,1-2H3,(H,17,20)
InChIKeyKMXRDSPWDWBXDP-UHFFFAOYSA-N
XLogP0.81
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582805
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025241
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
methyl 2-bromo-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoate
CID 81091395
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8582991
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide (CID 63570945) is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide is Cc1cccc(N2CCN(CCC(=O)NN)CC2)c1C.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide?
The InChIKey is KMXRDSPWDWBXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-4-3-5-14(13(12)2)19-10-8-18(9-11-19)7-6-15(20)17-16/h3-5H,6-11,16H2,1-2H3,(H,17,20).
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide?
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide has a molecular weight of 276.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide is sourced from PubChem (CID 63570945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).