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

C10H16F3N3O3 — CID 63588699

IUPAC1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-3-1-7(2-4-16)9(18)15-14/h7H,1-6,14H2,(H,15,18)
InChIKeyZWRPRRHOPZPBSG-UHFFFAOYSA-N
MW283.25 g/mol
LogP-0.21
Rot. Bonds4

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

1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 63588699) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID63588699
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-3-1-7(2-4-16)9(18)15-14/h7H,1-6,14H2,(H,15,18)
InChIKeyZWRPRRHOPZPBSG-UHFFFAOYSA-N
XLogP-0.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 5-0.21
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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Related Compounds

1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-(2-but-2-enoxyacetyl)piperidine-4-carbohydrazide
CID 76999495
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119543398
N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
CID 86863889
1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
CID 63568957
1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
CID 63575068
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119539118
1-(2-azidoacetyl)piperidine-4-carbohydrazide
CID 115465829
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212940

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide (CID 63588699) is 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)COCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is ZWRPRRHOPZPBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-3-1-7(2-4-16)9(18)15-14/h7H,1-6,14H2,(H,15,18).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 283.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63588699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).