1-acetylpiperidine-3-carbohydrazide

C8H15N3O2 — CID 25190936

IUPAC1-acetylpiperidine-3-carbohydrazide
SMILESCC(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C8H15N3O2/c1-6(12)11-4-2-3-7(5-11)8(13)10-9/h7H,2-5,9H2,1H3,(H,10,13)
InChIKeyYMBNGADTTDLKJH-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.77
Rot. Bonds1

About 1-acetylpiperidine-3-carbohydrazide

1-acetylpiperidine-3-carbohydrazide (PubChem CID 25190936) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-acetylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-acetylpiperidine-3-carbohydrazide
PubChem CID25190936
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-acetylpiperidine-3-carbohydrazide
SMILESCC(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C8H15N3O2/c1-6(12)11-4-2-3-7(5-11)8(13)10-9/h7H,2-5,9H2,1H3,(H,10,13)
InChIKeyYMBNGADTTDLKJH-UHFFFAOYSA-N
XLogP-0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidine-3-carbohydrazide?
The IUPAC name of 1-acetylpiperidine-3-carbohydrazide (CID 25190936) is 1-acetylpiperidine-3-carbohydrazide.
What is the SMILES notation for 1-acetylpiperidine-3-carbohydrazide?
The canonical SMILES for 1-acetylpiperidine-3-carbohydrazide is CC(=O)N1CCCC(C(=O)NN)C1.
What is the InChIKey of 1-acetylpiperidine-3-carbohydrazide?
The InChIKey is YMBNGADTTDLKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(12)11-4-2-3-7(5-11)8(13)10-9/h7H,2-5,9H2,1H3,(H,10,13).
What are the key properties of 1-acetylpiperidine-3-carbohydrazide?
1-acetylpiperidine-3-carbohydrazide has a molecular weight of 185.23 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-3-carbohydrazide is sourced from PubChem (CID 25190936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).