1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide

C13H23N3O4 — CID 63568957

IUPAC1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COC2CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c14-15-13(18)10-1-5-16(6-2-10)12(17)9-20-11-3-7-19-8-4-11/h10-11H,1-9,14H2,(H,15,18)
InChIKeyUKLOYFJAUSZULO-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.59
Rot. Bonds4

About 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide

1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 63568957) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
PubChem CID63568957
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COC2CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c14-15-13(18)10-1-5-16(6-2-10)12(17)9-20-11-3-7-19-8-4-11/h10-11H,1-9,14H2,(H,15,18)
InChIKeyUKLOYFJAUSZULO-UHFFFAOYSA-N
XLogP-0.59
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide (CID 63568957) is 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)COC2CCOCC2)CC1.
What is the InChIKey of 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is UKLOYFJAUSZULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c14-15-13(18)10-1-5-16(6-2-10)12(17)9-20-11-3-7-19-8-4-11/h10-11H,1-9,14H2,(H,15,18).
What are the key properties of 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 285.34 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63568957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).