2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid

C15H17F2N3O4 — CID 67157887

IUPAC2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESO=C(CC1CCCCN1C(=O)O)NNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3O4/c16-9-4-5-12(17)11(7-9)14(22)19-18-13(21)8-10-3-1-2-6-20(10)15(23)24/h4-5,7,10H,1-3,6,8H2,(H,18,21)(H,19,22)(H,23,24)
InChIKeyIOIBARYNQUJXEC-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid

2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid (PubChem CID 67157887) has the molecular formula C15H17F2N3O4 and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
PubChem CID67157887
Molecular FormulaC15H17F2N3O4
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESO=C(CC1CCCCN1C(=O)O)NNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3O4/c16-9-4-5-12(17)11(7-9)14(22)19-18-13(21)8-10-3-1-2-6-20(10)15(23)24/h4-5,7,10H,1-3,6,8H2,(H,18,21)(H,19,22)(H,23,24)
InChIKeyIOIBARYNQUJXEC-UHFFFAOYSA-N
XLogP1.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid (CID 67157887) is 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid is O=C(CC1CCCCN1C(=O)O)NNC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The InChIKey is IOIBARYNQUJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O4/c16-9-4-5-12(17)11(7-9)14(22)19-18-13(21)8-10-3-1-2-6-20(10)15(23)24/h4-5,7,10H,1-3,6,8H2,(H,18,21)(H,19,22)(H,23,24).
What are the key properties of 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid has a molecular weight of 341.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67157887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).