1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide

C11H18F3N3O3 — CID 82957360

IUPAC1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)3-6-20-7-9(18)17-4-1-8(2-5-17)10(19)16-15/h8H,1-7,15H2,(H,16,19)
InChIKeyCJZOXRFMSNSDNE-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.18
Rot. Bonds5

About 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide

1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 82957360) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID82957360
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)3-6-20-7-9(18)17-4-1-8(2-5-17)10(19)16-15/h8H,1-7,15H2,(H,16,19)
InChIKeyCJZOXRFMSNSDNE-UHFFFAOYSA-N
XLogP0.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': '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-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide (CID 82957360) is 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)COCCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is CJZOXRFMSNSDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c12-11(13,14)3-6-20-7-9(18)17-4-1-8(2-5-17)10(19)16-15/h8H,1-7,15H2,(H,16,19).
What are the key properties of 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 297.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 82957360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).