3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide

C14H28N4O2 — CID 168749200

IUPAC3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CCCCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C14H28N4O2/c1-12(2)5-3-4-6-17-7-9-18(10-8-17)14(20)11-13(19)16-15/h12H,3-11,15H2,1-2H3,(H,16,19)
InChIKeyHCOICEQRRDBSGS-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.34
Rot. Bonds7

About 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide

3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide (PubChem CID 168749200) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide.

Molecular Properties

Compound Name3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide
PubChem CID168749200
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CCCCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C14H28N4O2/c1-12(2)5-3-4-6-17-7-9-18(10-8-17)14(20)11-13(19)16-15/h12H,3-11,15H2,1-2H3,(H,16,19)
InChIKeyHCOICEQRRDBSGS-UHFFFAOYSA-N
XLogP0.34
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.34
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': '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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide?
The IUPAC name of 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide (CID 168749200) is 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide.
What is the SMILES notation for 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide?
The canonical SMILES for 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide is CC(C)CCCCN1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide?
The InChIKey is HCOICEQRRDBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-12(2)5-3-4-6-17-7-9-18(10-8-17)14(20)11-13(19)16-15/h12H,3-11,15H2,1-2H3,(H,16,19).
What are the key properties of 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide?
3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide has a molecular weight of 284.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylhexyl)piperazin-1-yl]-3-oxopropanehydrazide is sourced from PubChem (CID 168749200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).