1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide

C10H17F2N3O3 — CID 82010143

IUPAC1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCC(F)F)CC1
InChIInChI=1S/C10H17F2N3O3/c11-8(12)5-18-6-9(16)15-3-1-7(2-4-15)10(17)14-13/h7-8H,1-6,13H2,(H,14,17)
InChIKeyOMVACDUMPQTACS-UHFFFAOYSA-N
MW265.26 g/mol
LogP-0.50
Rot. Bonds5

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

1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 82010143) has the molecular formula C10H17F2N3O3 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID82010143
Molecular FormulaC10H17F2N3O3
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC Name1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCC(F)F)CC1
InChIInChI=1S/C10H17F2N3O3/c11-8(12)5-18-6-9(16)15-3-1-7(2-4-15)10(17)14-13/h7-8H,1-6,13H2,(H,14,17)
InChIKeyOMVACDUMPQTACS-UHFFFAOYSA-N
XLogP-0.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-0.50
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-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide (CID 82010143) is 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)COCC(F)F)CC1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is OMVACDUMPQTACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O3/c11-8(12)5-18-6-9(16)15-3-1-7(2-4-15)10(17)14-13/h7-8H,1-6,13H2,(H,14,17).
What are the key properties of 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 265.26 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 82010143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).