3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide

C13H26N4O2 — CID 168749124

IUPAC3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CCCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C13H26N4O2/c1-11(2)4-3-5-16-6-8-17(9-7-16)13(19)10-12(18)15-14/h11H,3-10,14H2,1-2H3,(H,15,18)
InChIKeyJJIZSFKCOLSXIQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.05
Rot. Bonds6

About 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide

3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide (PubChem CID 168749124) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide.

Molecular Properties

Compound Name3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide
PubChem CID168749124
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CCCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C13H26N4O2/c1-11(2)4-3-5-16-6-8-17(9-7-16)13(19)10-12(18)15-14/h11H,3-10,14H2,1-2H3,(H,15,18)
InChIKeyJJIZSFKCOLSXIQ-UHFFFAOYSA-N
XLogP-0.05
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-(4-Methylpiperidin-1-yl)propanehydrazide
CID 774285
2-Methyl-3-(4-methylpiperidin-1-yl)propanehydrazide
CID 3332405
1-Acetylpiperidine-3-carbohydrazide
CID 25190936
N'-acetyl-1-methylpiperidine-3-carbohydrazide
CID 59556463
N'-amino-3-(4-tert-butylpiperidin-1-yl)-3-oxopropanehydrazide
CID 71192546
3-Amino-1-(4-ethyl-2-methylpiperidin-1-yl)-2-hydrazinylpropan-1-one
CID 139353869
2-Methyl-4-[4-(5-methylhexyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 168749105
2-Hydrazinyl-1-[4-(4-methylpentyl)piperazin-1-yl]ethanone
CID 168749112
2-Methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 168749134
3-[4-(4-Methylpentyl)piperidin-1-yl]-3-oxopropanehydrazide
CID 168749141
3-[4-(5-Methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide
CID 168749163
3-[4-(5-Methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide
CID 168749200

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide?
The IUPAC name of 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide (CID 168749124) is 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide.
What is the SMILES notation for 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide?
The canonical SMILES for 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide is CC(C)CCCN1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide?
The InChIKey is JJIZSFKCOLSXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-11(2)4-3-5-16-6-8-17(9-7-16)13(19)10-12(18)15-14/h11H,3-10,14H2,1-2H3,(H,15,18).
What are the key properties of 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide?
3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide has a molecular weight of 270.38 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide is sourced from PubChem (CID 168749124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).