1-acetyl-N'-methylpiperidine-4-carbohydrazide

C9H17N3O2 — CID 143484498

IUPAC1-acetyl-N'-methylpiperidine-4-carbohydrazide
SMILESCNNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C9H17N3O2/c1-7(13)12-5-3-8(4-6-12)9(14)11-10-2/h8,10H,3-6H2,1-2H3,(H,11,14)
InChIKeyGXIGNUCHIQFTGC-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.50
Rot. Bonds2

About 1-acetyl-N'-methylpiperidine-4-carbohydrazide

1-acetyl-N'-methylpiperidine-4-carbohydrazide (PubChem CID 143484498) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-acetyl-N'-methylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-acetyl-N'-methylpiperidine-4-carbohydrazide
PubChem CID143484498
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-acetyl-N'-methylpiperidine-4-carbohydrazide
SMILESCNNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C9H17N3O2/c1-7(13)12-5-3-8(4-6-12)9(14)11-10-2/h8,10H,3-6H2,1-2H3,(H,11,14)
InChIKeyGXIGNUCHIQFTGC-UHFFFAOYSA-N
XLogP-0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N'-methylpiperidine-4-carbohydrazide?
The IUPAC name of 1-acetyl-N'-methylpiperidine-4-carbohydrazide (CID 143484498) is 1-acetyl-N'-methylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-acetyl-N'-methylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-acetyl-N'-methylpiperidine-4-carbohydrazide is CNNC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N'-methylpiperidine-4-carbohydrazide?
The InChIKey is GXIGNUCHIQFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)12-5-3-8(4-6-12)9(14)11-10-2/h8,10H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 1-acetyl-N'-methylpiperidine-4-carbohydrazide?
1-acetyl-N'-methylpiperidine-4-carbohydrazide has a molecular weight of 199.25 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N'-methylpiperidine-4-carbohydrazide is sourced from PubChem (CID 143484498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).