2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid

C15H17F2N3O4 — CID 67158559

IUPAC2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESO=C(CC1CCCCN1C(=O)O)NNC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H17F2N3O4/c16-11-6-3-5-10(13(11)17)14(22)19-18-12(21)8-9-4-1-2-7-20(9)15(23)24/h3,5-6,9H,1-2,4,7-8H2,(H,18,21)(H,19,22)(H,23,24)
InChIKeyHHFXQCDASUGVLL-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid

2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid (PubChem CID 67158559) has the molecular formula C15H17F2N3O4 and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
PubChem CID67158559
Molecular FormulaC15H17F2N3O4
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESO=C(CC1CCCCN1C(=O)O)NNC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H17F2N3O4/c16-11-6-3-5-10(13(11)17)14(22)19-18-12(21)8-9-4-1-2-7-20(9)15(23)24/h3,5-6,9H,1-2,4,7-8H2,(H,18,21)(H,19,22)(H,23,24)
InChIKeyHHFXQCDASUGVLL-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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Related Compounds

FK-960
CID 181428
Benzamide, N-(1-acetyl-4-piperidinyl)-4-fluoro-
CID 9816738
4-Fluoro-benzoic acid N'-(2-oxo-2-piperidin-1-yl-acetyl)-hydrazide
CID 3121381
(3R)-3-amino-1-(2-benzoyldiazinan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 23628283
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4789972
Benzoic acid N'-(2-oxo-2-piperidin-1-yl-acetyl)-hydrazide
CID 3121380
Benzoic acid, p-fluoro-, 2-(2-(benzylcarbamoyl)ethyl)hydrazide
CID 15138
2-fluoro-N-piperidin-1-ylbenzamide
CID 9271847
1-(2,4-Difluorobenzoyl)piperidine-3-carboxamide
CID 53015058
2-[1-[3-(Trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
CID 53558847
FK-960 monohydrate
CID 6918345
4-fluoro-N-(piperidin-1-yl)benzamide
CID 9270994

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid (CID 67158559) is 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid is O=C(CC1CCCCN1C(=O)O)NNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The InChIKey is HHFXQCDASUGVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O4/c16-11-6-3-5-10(13(11)17)14(22)19-18-12(21)8-9-4-1-2-7-20(9)15(23)24/h3,5-6,9H,1-2,4,7-8H2,(H,18,21)(H,19,22)(H,23,24).
What are the key properties of 2-[2-[2-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
2-[2-[2-(2,3-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-(2,3-difluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67158559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).