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

C12H20F3N3O3 — CID 82782625

IUPAC1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCCCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)4-1-7-21-8-10(19)18-5-2-9(3-6-18)11(20)17-16/h9H,1-8,16H2,(H,17,20)
InChIKeyOWFODWSQQTXLHV-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.57
Rot. Bonds6

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

1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 82782625) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID82782625
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCCCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)4-1-7-21-8-10(19)18-5-2-9(3-6-18)11(20)17-16/h9H,1-8,16H2,(H,17,20)
InChIKeyOWFODWSQQTXLHV-UHFFFAOYSA-N
XLogP0.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.57
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-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide (CID 82782625) is 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)COCCCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is OWFODWSQQTXLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c13-12(14,15)4-1-7-21-8-10(19)18-5-2-9(3-6-18)11(20)17-16/h9H,1-8,16H2,(H,17,20).
What are the key properties of 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 311.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4,4-trifluorobutoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 82782625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).