2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide

C12H24N4O2 — CID 51353226

IUPAC2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide
SMILESC[C@@H]1CCC[C@H](C)[15N]1C[13C](=O)N[13CH2][13CH2][13C](=O)NN
InChIInChI=1S/C12H24N4O2/c1-9-4-3-5-10(2)16(9)8-12(18)14-7-6-11(17)15-13/h9-10H,3-8,13H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/i6+1,7+1,11+1,12+1,16+1
InChIKeyXFKFYJUHKLOJOE-OGKNYZKISA-N
MW261.31 g/mol
LogP-0.25
Rot. Bonds5

About 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide

2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide (PubChem CID 51353226) has the molecular formula C12H24N4O2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide
PubChem CID51353226
Molecular FormulaC12H24N4O2
Molecular Weight261.31 g/mol
Exact Mass261.20
IUPAC Name2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide
SMILESC[C@@H]1CCC[C@H](C)[15N]1C[13C](=O)N[13CH2][13CH2][13C](=O)NN
InChIInChI=1S/C12H24N4O2/c1-9-4-3-5-10(2)16(9)8-12(18)14-7-6-11(17)15-13/h9-10H,3-8,13H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/i6+1,7+1,11+1,12+1,16+1
InChIKeyXFKFYJUHKLOJOE-OGKNYZKISA-N
XLogP-0.25
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxo-((2,2,6,6-tetramethylpiperidin-4-yl)amino)carbonylacetohydrazide
CID 3086601
N1-cycloheptyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45505090
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 14745327
2-[(1,2,2,6,6-Pentamethylpiperidin-4-yl)amino]acetohydrazide
CID 18955669
3-[(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]propanehydrazide
CID 18955674
2-hydrazinyl-2-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
CID 18955679
2-(2-acetylhydrazinyl)-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 19009224
N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide
CID 19021259
N-methyl-2-[methylamino-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoacetamide
CID 19021273
N-butyl-2-hydrazinyl-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 19609560
2-[methyl(methylamino)amino]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 19760732
N-(2,2,6,6-tetramethyl-4-piperidinyl)-N'-methylaminooxamide
CID 20085747

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide (CID 51353226) is 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide is C[C@@H]1CCC[C@H](C)[15N]1C[13C](=O)N[13CH2][13CH2][13C](=O)NN.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide?
The InChIKey is XFKFYJUHKLOJOE-OGKNYZKISA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9-4-3-5-10(2)16(9)8-12(18)14-7-6-11(17)15-13/h9-10H,3-8,13H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/i6+1,7+1,11+1,12+1,16+1.
What are the key properties of 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide?
2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide has a molecular weight of 261.31 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide is sourced from PubChem (CID 51353226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).