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

C13H25N3O3 — CID 63569456

IUPAC1-(2-pentoxyacetyl)piperidine-4-carbohydrazide
SMILESCCCCCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H25N3O3/c1-2-3-4-9-19-10-12(17)16-7-5-11(6-8-16)13(18)15-14/h11H,2-10,14H2,1H3,(H,15,18)
InChIKeyOBQMTBCUXMJNTC-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.42
Rot. Bonds7

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

1-(2-pentoxyacetyl)piperidine-4-carbohydrazide (PubChem CID 63569456) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-pentoxyacetyl)piperidine-4-carbohydrazide
PubChem CID63569456
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(2-pentoxyacetyl)piperidine-4-carbohydrazide
SMILESCCCCCOCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H25N3O3/c1-2-3-4-9-19-10-12(17)16-7-5-11(6-8-16)13(18)15-14/h11H,2-10,14H2,1H3,(H,15,18)
InChIKeyOBQMTBCUXMJNTC-UHFFFAOYSA-N
XLogP0.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide (CID 63569456) is 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide is CCCCCOCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide?
The InChIKey is OBQMTBCUXMJNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-2-3-4-9-19-10-12(17)16-7-5-11(6-8-16)13(18)15-14/h11H,2-10,14H2,1H3,(H,15,18).
What are the key properties of 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide?
1-(2-pentoxyacetyl)piperidine-4-carbohydrazide has a molecular weight of 271.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentoxyacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 63569456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).