1-(2-butoxyacetyl)piperidine-4-carbohydrazide

C12H23N3O3 — CID 63570869

IUPAC1-(2-butoxyacetyl)piperidine-4-carbohydrazide
SMILESCCCCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H23N3O3/c1-2-3-8-18-9-11(16)15-6-4-10(5-7-15)12(17)14-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyBBCFDSHOEBEUOW-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.03
Rot. Bonds6

About 1-(2-butoxyacetyl)piperidine-4-carbohydrazide

1-(2-butoxyacetyl)piperidine-4-carbohydrazide (PubChem CID 63570869) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-butoxyacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-butoxyacetyl)piperidine-4-carbohydrazide
PubChem CID63570869
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(2-butoxyacetyl)piperidine-4-carbohydrazide
SMILESCCCCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H23N3O3/c1-2-3-8-18-9-11(16)15-6-4-10(5-7-15)12(17)14-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyBBCFDSHOEBEUOW-UHFFFAOYSA-N
XLogP0.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.03
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide
CID 76999495
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
CID 63588699
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
1-[2-[butyl(cyclopropyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63583399
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
CID 63575068
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
1-[2-[ethyl(propan-2-yl)amino]acetyl]piperidine-4-carbohydrazide
CID 63574205
1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
CID 63568957
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyacetyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-butoxyacetyl)piperidine-4-carbohydrazide (CID 63570869) is 1-(2-butoxyacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-butoxyacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-butoxyacetyl)piperidine-4-carbohydrazide is CCCCOCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(2-butoxyacetyl)piperidine-4-carbohydrazide?
The InChIKey is BBCFDSHOEBEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-3-8-18-9-11(16)15-6-4-10(5-7-15)12(17)14-13/h10H,2-9,13H2,1H3,(H,14,17).
What are the key properties of 1-(2-butoxyacetyl)piperidine-4-carbohydrazide?
1-(2-butoxyacetyl)piperidine-4-carbohydrazide has a molecular weight of 257.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 63570869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).