2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide

C16H32N4O2 — CID 168749105

IUPAC2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide
SMILESCC(C)CCCCN1CCN(C(=O)CC(C)C(=O)NN)CC1
InChIInChI=1S/C16H32N4O2/c1-13(2)6-4-5-7-19-8-10-20(11-9-19)15(21)12-14(3)16(22)18-17/h13-14H,4-12,17H2,1-3H3,(H,18,22)
InChIKeyGUCVWXHHOFZWFM-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.97
Rot. Bonds8

About 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide

2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide (PubChem CID 168749105) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide.

Molecular Properties

Compound Name2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide
PubChem CID168749105
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide
SMILESCC(C)CCCCN1CCN(C(=O)CC(C)C(=O)NN)CC1
InChIInChI=1S/C16H32N4O2/c1-13(2)6-4-5-7-19-8-10-20(11-9-19)15(21)12-14(3)16(22)18-17/h13-14H,4-12,17H2,1-3H3,(H,18,22)
InChIKeyGUCVWXHHOFZWFM-UHFFFAOYSA-N
XLogP0.97
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide?
The IUPAC name of 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide (CID 168749105) is 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide.
What is the SMILES notation for 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide?
The canonical SMILES for 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide is CC(C)CCCCN1CCN(C(=O)CC(C)C(=O)NN)CC1.
What is the InChIKey of 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide?
The InChIKey is GUCVWXHHOFZWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-13(2)6-4-5-7-19-8-10-20(11-9-19)15(21)12-14(3)16(22)18-17/h13-14H,4-12,17H2,1-3H3,(H,18,22).
What are the key properties of 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide?
2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide has a molecular weight of 312.46 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide is sourced from PubChem (CID 168749105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).