1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide

C12H23N3O3 — CID 55212218

IUPAC1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide
SMILESCC(C)COCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H23N3O3/c1-9(2)7-18-8-11(16)15-5-3-10(4-6-15)12(17)14-13/h9-10H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyDGAGCVQEDKWEMF-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.11
Rot. Bonds5

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

1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 55212218) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID55212218
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide
SMILESCC(C)COCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C12H23N3O3/c1-9(2)7-18-8-11(16)15-5-3-10(4-6-15)12(17)14-13/h9-10H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyDGAGCVQEDKWEMF-UHFFFAOYSA-N
XLogP-0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide (CID 55212218) is 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide is CC(C)COCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is DGAGCVQEDKWEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)7-18-8-11(16)15-5-3-10(4-6-15)12(17)14-13/h9-10H,3-8,13H2,1-2H3,(H,14,17).
What are the key properties of 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 257.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 55212218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).