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

C15H29N3O2 — CID 168749163

IUPAC3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CCCCC1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)5-3-4-6-13-7-9-18(10-8-13)15(20)11-14(19)17-16/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyZGUJXFKZRZSOIM-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.82
Rot. Bonds7

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

3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide (PubChem CID 168749163) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide.

Molecular Properties

Compound Name3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide
PubChem CID168749163
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide
SMILESCC(C)CCCCC1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)5-3-4-6-13-7-9-18(10-8-13)15(20)11-14(19)17-16/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyZGUJXFKZRZSOIM-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)piperidin-1-yl]-3-oxopropanehydrazide?
The IUPAC name of 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide (CID 168749163) is 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide.
What is the SMILES notation for 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide?
The canonical SMILES for 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide is CC(C)CCCCC1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide?
The InChIKey is ZGUJXFKZRZSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)5-3-4-6-13-7-9-18(10-8-13)15(20)11-14(19)17-16/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide?
3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide has a molecular weight of 283.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylhexyl)piperidin-1-yl]-3-oxopropanehydrazide is sourced from PubChem (CID 168749163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).