N'-acetyl-1-methylpiperidine-3-carbohydrazide

C9H17N3O2 — CID 59556463

IUPACN'-acetyl-1-methylpiperidine-3-carbohydrazide
SMILESCC(=O)NNC(=O)C1CCCN(C)C1
InChIInChI=1S/C9H17N3O2/c1-7(13)10-11-9(14)8-4-3-5-12(2)6-8/h8H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyFSLMSIUEZKEWKM-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.50
Rot. Bonds1

About N'-acetyl-1-methylpiperidine-3-carbohydrazide

N'-acetyl-1-methylpiperidine-3-carbohydrazide (PubChem CID 59556463) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N'-acetyl-1-methylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-1-methylpiperidine-3-carbohydrazide
PubChem CID59556463
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN'-acetyl-1-methylpiperidine-3-carbohydrazide
SMILESCC(=O)NNC(=O)C1CCCN(C)C1
InChIInChI=1S/C9H17N3O2/c1-7(13)10-11-9(14)8-4-3-5-12(2)6-8/h8H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyFSLMSIUEZKEWKM-UHFFFAOYSA-N
XLogP-0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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 N'-acetyl-1-methylpiperidine-3-carbohydrazide?
The IUPAC name of N'-acetyl-1-methylpiperidine-3-carbohydrazide (CID 59556463) is N'-acetyl-1-methylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-1-methylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-acetyl-1-methylpiperidine-3-carbohydrazide is CC(=O)NNC(=O)C1CCCN(C)C1.
What is the InChIKey of N'-acetyl-1-methylpiperidine-3-carbohydrazide?
The InChIKey is FSLMSIUEZKEWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)10-11-9(14)8-4-3-5-12(2)6-8/h8H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N'-acetyl-1-methylpiperidine-3-carbohydrazide?
N'-acetyl-1-methylpiperidine-3-carbohydrazide has a molecular weight of 199.25 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-1-methylpiperidine-3-carbohydrazide is sourced from PubChem (CID 59556463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).