6-oxopiperidine-3-carbohydrazide

C6H11N3O2 — CID 126970948

IUPAC6-oxopiperidine-3-carbohydrazide
SMILESNNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C6H11N3O2/c7-9-6(11)4-1-2-5(10)8-3-4/h4H,1-3,7H2,(H,8,10)(H,9,11)
InChIKeyMRXNKVWAFOKYRR-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.50
Rot. Bonds1

About 6-oxopiperidine-3-carbohydrazide

6-oxopiperidine-3-carbohydrazide (PubChem CID 126970948) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-oxopiperidine-3-carbohydrazide.

Molecular Properties

Compound Name6-oxopiperidine-3-carbohydrazide
PubChem CID126970948
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name6-oxopiperidine-3-carbohydrazide
SMILESNNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C6H11N3O2/c7-9-6(11)4-1-2-5(10)8-3-4/h4H,1-3,7H2,(H,8,10)(H,9,11)
InChIKeyMRXNKVWAFOKYRR-UHFFFAOYSA-N
XLogP-1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.50
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

N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
6-oxo-N-[(3S)-pyrrolidin-3-yl]piperidine-3-carboxamide
CID 83192394
N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide
CID 103805817
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-(2,2-dicyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036656
N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
CID 79039671
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide
CID 81486889
2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83191699

Frequently Asked Questions

What is the IUPAC name of 6-oxopiperidine-3-carbohydrazide?
The IUPAC name of 6-oxopiperidine-3-carbohydrazide (CID 126970948) is 6-oxopiperidine-3-carbohydrazide.
What is the SMILES notation for 6-oxopiperidine-3-carbohydrazide?
The canonical SMILES for 6-oxopiperidine-3-carbohydrazide is NNC(=O)C1CCC(=O)NC1.
What is the InChIKey of 6-oxopiperidine-3-carbohydrazide?
The InChIKey is MRXNKVWAFOKYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-9-6(11)4-1-2-5(10)8-3-4/h4H,1-3,7H2,(H,8,10)(H,9,11).
What are the key properties of 6-oxopiperidine-3-carbohydrazide?
6-oxopiperidine-3-carbohydrazide has a molecular weight of 157.17 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopiperidine-3-carbohydrazide is sourced from PubChem (CID 126970948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).