2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide

C10H19N3O2 — CID 114594555

IUPAC2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide
SMILESCC1CC(C)C(C)N(C(=O)C(=O)NN)C1
InChIInChI=1S/C10H19N3O2/c1-6-4-7(2)8(3)13(5-6)10(15)9(14)12-11/h6-8H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyGDZSQUCNABTKIV-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.13
Rot. Bonds

About 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide

2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide (PubChem CID 114594555) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide
PubChem CID114594555
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide
SMILESCC1CC(C)C(C)N(C(=O)C(=O)NN)C1
InChIInChI=1S/C10H19N3O2/c1-6-4-7(2)8(3)13(5-6)10(15)9(14)12-11/h6-8H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyGDZSQUCNABTKIV-UHFFFAOYSA-N
XLogP-0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
1-(2,3,5-trimethylpiperidin-1-yl)butane-1,3-dione
CID 114593177
(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 104939664
3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593024
4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114592344
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658
4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593083
3-amino-4-oxo-4-(2,3,5-trimethylpiperidin-1-yl)butanoic acid
CID 114593012
piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593112
4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114597476

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide?
The IUPAC name of 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide (CID 114594555) is 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide?
The canonical SMILES for 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide is CC1CC(C)C(C)N(C(=O)C(=O)NN)C1.
What is the InChIKey of 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide?
The InChIKey is GDZSQUCNABTKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6-4-7(2)8(3)13(5-6)10(15)9(14)12-11/h6-8H,4-5,11H2,1-3H3,(H,12,14).
What are the key properties of 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide?
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide has a molecular weight of 213.28 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide is sourced from PubChem (CID 114594555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).