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

C11H18F3N3O3 — CID 66275551

IUPAC1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide
SMILESCC(OCC(=O)N1CCC(C(=O)NN)CC1)C(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c1-7(11(12,13)14)20-6-9(18)17-4-2-8(3-5-17)10(19)16-15/h7-8H,2-6,15H2,1H3,(H,16,19)
InChIKeyVVGLNQSAWVQGRL-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.18
Rot. Bonds4

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

1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 66275551) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide
PubChem CID66275551
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide
SMILESCC(OCC(=O)N1CCC(C(=O)NN)CC1)C(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c1-7(11(12,13)14)20-6-9(18)17-4-2-8(3-5-17)10(19)16-15/h7-8H,2-6,15H2,1H3,(H,16,19)
InChIKeyVVGLNQSAWVQGRL-UHFFFAOYSA-N
XLogP0.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.18
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-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide (CID 66275551) is 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide is CC(OCC(=O)N1CCC(C(=O)NN)CC1)C(F)(F)F.
What is the InChIKey of 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is VVGLNQSAWVQGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-7(11(12,13)14)20-6-9(18)17-4-2-8(3-5-17)10(19)16-15/h7-8H,2-6,15H2,1H3,(H,16,19).
What are the key properties of 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 297.28 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1-trifluoropropan-2-yloxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 66275551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).