1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide

C12H21N3O3 — CID 76999495

IUPAC1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide
SMILESCC=CCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H21N3O3/c1-2-3-8-18-9-11(16)15-6-4-10(5-7-15)12(17)14-13/h2-3,10H,4-9,13H2,1H3,(H,14,17)
InChIKeyXXIMMWDHYNAYAO-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.19
Rot. Bonds5

About 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide

1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide (PubChem CID 76999495) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide
PubChem CID76999495
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide
SMILESCC=CCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H21N3O3/c1-2-3-8-18-9-11(16)15-6-4-10(5-7-15)12(17)14-13/h2-3,10H,4-9,13H2,1H3,(H,14,17)
InChIKeyXXIMMWDHYNAYAO-UHFFFAOYSA-N
XLogP-0.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
CID 63588699
1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
CID 63575068
1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
CID 63568957
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63573012
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
1-[2-(4-methoxypiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63571418
1-[2-[ethyl(propan-2-yl)amino]acetyl]piperidine-4-carbohydrazide
CID 63574205
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide (CID 76999495) is 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide is CC=CCOCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide?
The InChIKey is XXIMMWDHYNAYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-3-8-18-9-11(16)15-6-4-10(5-7-15)12(17)14-13/h2-3,10H,4-9,13H2,1H3,(H,14,17).
What are the key properties of 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide?
1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide has a molecular weight of 255.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 76999495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).