1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C12H19F3N4O3 — CID 35169808

IUPAC1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(=O)NNC(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4O3/c1-8(20)17-18-10(21)6-19-4-2-9(3-5-19)11(22)16-7-12(13,14)15/h9H,2-7H2,1H3,(H,16,22)(H,17,20)(H,18,21)
InChIKeySYUSGDXZFBMLFG-UHFFFAOYSA-N
MW324.30 g/mol
LogP-0.46
Rot. Bonds4

About 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 35169808) has the molecular formula C12H19F3N4O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID35169808
Molecular FormulaC12H19F3N4O3
Molecular Weight324.30 g/mol
Exact Mass324.14
IUPAC Name1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(=O)NNC(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4O3/c1-8(20)17-18-10(21)6-19-4-2-9(3-5-19)11(22)16-7-12(13,14)15/h9H,2-7H2,1H3,(H,16,22)(H,17,20)(H,18,21)
InChIKeySYUSGDXZFBMLFG-UHFFFAOYSA-N
XLogP-0.46
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 35169808) is 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CC(=O)NNC(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is SYUSGDXZFBMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O3/c1-8(20)17-18-10(21)6-19-4-2-9(3-5-19)11(22)16-7-12(13,14)15/h9H,2-7H2,1H3,(H,16,22)(H,17,20)(H,18,21).
What are the key properties of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 324.30 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 35169808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).