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

C15H30N4O2 — CID 168749134

IUPAC2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide
SMILESCC(C)CCCN1CCN(C(=O)CC(C)C(=O)NN)CC1
InChIInChI=1S/C15H30N4O2/c1-12(2)5-4-6-18-7-9-19(10-8-18)14(20)11-13(3)15(21)17-16/h12-13H,4-11,16H2,1-3H3,(H,17,21)
InChIKeyOSPBATHAZYDLGS-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.58
Rot. Bonds7

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

2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide (PubChem CID 168749134) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide
PubChem CID168749134
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide
SMILESCC(C)CCCN1CCN(C(=O)CC(C)C(=O)NN)CC1
InChIInChI=1S/C15H30N4O2/c1-12(2)5-4-6-18-7-9-19(10-8-18)14(20)11-13(3)15(21)17-16/h12-13H,4-11,16H2,1-3H3,(H,17,21)
InChIKeyOSPBATHAZYDLGS-UHFFFAOYSA-N
XLogP0.58
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.58
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

1-Acetylpiperidine-4-carbohydrazide
CID 468609
4-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 468610
N',N'dimethyl-4-piperidino-4-oxobutanoylhydrazinium iodide
CID 155907343
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63571650
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63583185
1-[2-[Methyl(3,3,3-trifluoropropyl)amino]acetyl]piperidine-4-carbohydrazide
CID 65545730
1-[2-[2,2-Difluoroethyl(methyl)amino]acetyl]piperidine-4-carbohydrazide
CID 116318452
4-hydrazinyl-2-methyl-4-oxo-N-(2,2,6,6-tetramethylpiperidin-3-yl)butanamide
CID 19021276
1-(2-Methylpropanoyl)piperidine-4-carbohydrazide
CID 43244737
1-Isobutylpiperidine-4-carbohydrazide
CID 54793668
1-(2,2-Dimethylpropanoyl)piperidine-4-carbohydrazide
CID 54794053
1-methyl-N'-propanoylpiperidine-4-carbohydrazide
CID 58955157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide?
The IUPAC name of 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide (CID 168749134) is 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide.
What is the SMILES notation for 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide?
The canonical SMILES for 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide is CC(C)CCCN1CCN(C(=O)CC(C)C(=O)NN)CC1.
What is the InChIKey of 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide?
The InChIKey is OSPBATHAZYDLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-12(2)5-4-6-18-7-9-19(10-8-18)14(20)11-13(3)15(21)17-16/h12-13H,4-11,16H2,1-3H3,(H,17,21).
What are the key properties of 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide?
2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide has a molecular weight of 298.43 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide is sourced from PubChem (CID 168749134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).