4-piperidin-1-ylbut-2-enehydrazide

C9H17N3O — CID 69088465

IUPAC4-piperidin-1-ylbut-2-enehydrazide
SMILESNNC(=O)C=CCN1CCCCC1
InChIInChI=1S/C9H17N3O/c10-11-9(13)5-4-8-12-6-2-1-3-7-12/h4-5H,1-3,6-8,10H2,(H,11,13)
InChIKeyOJMWCZRKLZJXGL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.02
Rot. Bonds3

About 4-piperidin-1-ylbut-2-enehydrazide

4-piperidin-1-ylbut-2-enehydrazide (PubChem CID 69088465) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-piperidin-1-ylbut-2-enehydrazide.

Molecular Properties

Compound Name4-piperidin-1-ylbut-2-enehydrazide
PubChem CID69088465
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-piperidin-1-ylbut-2-enehydrazide
SMILESNNC(=O)C=CCN1CCCCC1
InChIInChI=1S/C9H17N3O/c10-11-9(13)5-4-8-12-6-2-1-3-7-12/h4-5H,1-3,6-8,10H2,(H,11,13)
InChIKeyOJMWCZRKLZJXGL-UHFFFAOYSA-N
XLogP0.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
(Z)-4-oxo-N-piperidin-1-ylbut-2-enamide
CID 58346827
(E)-4-piperidin-1-ylbut-2-enamide
CID 59420116
1,2-Dihydropyridazine-3,6-dione;1,1-dimethylpiperidin-1-ium
CID 67360795
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
4-Piperidin-1-ylbut-2-enamide
CID 72279346
4-oxo-N-piperidin-1-ylbut-2-enamide
CID 76768793
4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide
CID 141156018
ethane;molecular hydrogen;(E)-4-piperidin-1-ylbut-2-enamide
CID 144771079
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
N-piperidin-1-ylbut-2-enamide
CID 153739102
Piperidine;prop-2-enehydrazide
CID 161038533

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbut-2-enehydrazide?
The IUPAC name of 4-piperidin-1-ylbut-2-enehydrazide (CID 69088465) is 4-piperidin-1-ylbut-2-enehydrazide.
What is the SMILES notation for 4-piperidin-1-ylbut-2-enehydrazide?
The canonical SMILES for 4-piperidin-1-ylbut-2-enehydrazide is NNC(=O)C=CCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbut-2-enehydrazide?
The InChIKey is OJMWCZRKLZJXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-11-9(13)5-4-8-12-6-2-1-3-7-12/h4-5H,1-3,6-8,10H2,(H,11,13).
What are the key properties of 4-piperidin-1-ylbut-2-enehydrazide?
4-piperidin-1-ylbut-2-enehydrazide has a molecular weight of 183.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbut-2-enehydrazide is sourced from PubChem (CID 69088465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).