tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate

C19H26FN3O4 — CID 91137644

IUPACtert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H26FN3O4/c1-19(2,3)27-18(26)23-11-7-6-8-13(23)12-16(24)21-22-17(25)14-9-4-5-10-15(14)20/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySRGGAWHMCRJSOS-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 91137644) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID91137644
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Nametert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H26FN3O4/c1-19(2,3)27-18(26)23-11-7-6-8-13(23)12-16(24)21-22-17(25)14-9-4-5-10-15(14)20/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySRGGAWHMCRJSOS-UHFFFAOYSA-N
XLogP2.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
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 tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate (CID 91137644) is tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CC(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is SRGGAWHMCRJSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-19(2,3)27-18(26)23-11-7-6-8-13(23)12-16(24)21-22-17(25)14-9-4-5-10-15(14)20/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 379.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 91137644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).