N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide

C9H18N4O2 — CID 44549258

IUPACN-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCCC1)C(=O)NN
InChIInChI=1S/C9H18N4O2/c1-7(8(14)12-10)11-9(15)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,14)/t7-/m0/s1
InChIKeyXZWIQEBQZPOWJB-ZETCQYMHSA-N
MW214.27 g/mol
LogP-0.44
Rot. Bonds2

About N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide

N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide (PubChem CID 44549258) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
PubChem CID44549258
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCCC1)C(=O)NN
InChIInChI=1S/C9H18N4O2/c1-7(8(14)12-10)11-9(15)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,14)/t7-/m0/s1
InChIKeyXZWIQEBQZPOWJB-ZETCQYMHSA-N
XLogP-0.44
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 4798539
2-[4-(hydrazinecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 15692795
4-[(2-hydrazinyl-2-oxoacetyl)amino]-N,N,2,2,6,6-hexamethylpiperidine-1-carboxamide
CID 19021238
2-[(2R,6S)-2,6-dimethyl(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(1,2,3-13C3)propyl)acetamide
CID 51353226
2-[(2R,6S)-2,6-di((113C)methyl)(115N)azinan-1-yl]-N-(3-hydrazinyl-3-oxo(113C)propyl)acetamide
CID 51353291
2-[(2S,6R)-2,6-di((113C)methyl)(2,6-13C2)azinan-1-yl]-N-(3-hydrazinyl-3-oxopropyl)acetamide
CID 51353292
1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 59006503
1-methyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 59006571
N-[1-(propanoylamino)piperidin-3-yl]propanamide
CID 67630103
2-(2,6-dimethylpiperidin-1-yl)-N-(3-hydrazinyl-3-oxopropyl)acetamide
CID 68394212
N,N-dimethyl-2-[2-methyl-2-(piperidine-1-carbonyl)hydrazinyl]acetamide
CID 69732301
N-(3-hydrazinyl-3-oxo(113C)propyl)-2-[(2R,6S)-2-methyl-6-(113C)methylpiperidin-1-yl]acetamide
CID 70957936

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide (CID 44549258) is N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCCCC1)C(=O)NN.
What is the InChIKey of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
The InChIKey is XZWIQEBQZPOWJB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-7(8(14)12-10)11-9(15)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide has a molecular weight of 214.27 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 44549258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).