N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide

C11H22N4O2 — CID 123460934

IUPACN-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide
SMILES[13CH3][C@H]1CCCC[15N]1C[13C](=O)N[13CH2]CC(=O)NN
InChIInChI=1S/C11H22N4O2/c1-9-4-2-3-7-15(9)8-11(17)13-6-5-10(16)14-12/h9H,2-8,12H2,1H3,(H,13,17)(H,14,16)/t9-/m0/s1/i1+1,6+1,11+1,15+1
InChIKeyFTNWWAVLVUZNOY-LXRYNROCSA-N
MW246.29 g/mol
LogP-0.64
Rot. Bonds5

About N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide

N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide (PubChem CID 123460934) has the molecular formula C11H22N4O2 and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide
PubChem CID123460934
Molecular FormulaC11H22N4O2
Molecular Weight246.29 g/mol
Exact Mass246.18
IUPAC NameN-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide
SMILES[13CH3][C@H]1CCCC[15N]1C[13C](=O)N[13CH2]CC(=O)NN
InChIInChI=1S/C11H22N4O2/c1-9-4-2-3-7-15(9)8-11(17)13-6-5-10(16)14-12/h9H,2-8,12H2,1H3,(H,13,17)(H,14,16)/t9-/m0/s1/i1+1,6+1,11+1,15+1
InChIKeyFTNWWAVLVUZNOY-LXRYNROCSA-N
XLogP-0.64
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.64
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'}

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Related Compounds

N-(3-aminooxypropyl)-3-[[2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetyl]amino](313C)propanamide
CID 123219122
N-(3-aminooxypropyl)-3-[[2-[(2S)-2-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanamide
CID 123781380
N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide
CID 70958043
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
N-(ethylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583077
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
2-[(2S)-2-methylpiperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51980847
N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583065
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
1-[2-oxo-2-(propylamino)ethyl]azepane-2-carboxylic acid
CID 64564538
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide?
The IUPAC name of N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide (CID 123460934) is N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide is [13CH3][C@H]1CCCC[15N]1C[13C](=O)N[13CH2]CC(=O)NN.
What is the InChIKey of N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide?
The InChIKey is FTNWWAVLVUZNOY-LXRYNROCSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9-4-2-3-7-15(9)8-11(17)13-6-5-10(16)14-12/h9H,2-8,12H2,1H3,(H,13,17)(H,14,16)/t9-/m0/s1/i1+1,6+1,11+1,15+1.
What are the key properties of N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide?
N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide has a molecular weight of 246.29 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2S)-2-(113C)methyl(115N)azinan-1-yl]acetamide is sourced from PubChem (CID 123460934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).