2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid

C15H18FN3O4 — CID 67157482

IUPAC2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESO=C(CC1CCCCN1C(=O)O)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H18FN3O4/c16-12-7-2-1-6-11(12)14(21)18-17-13(20)9-10-5-3-4-8-19(10)15(22)23/h1-2,6-7,10H,3-5,8-9H2,(H,17,20)(H,18,21)(H,22,23)
InChIKeyOUXPGRNQKLVVHS-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.51
Rot. Bonds3

About 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid

2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid (PubChem CID 67157482) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
PubChem CID67157482
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Name2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESO=C(CC1CCCCN1C(=O)O)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H18FN3O4/c16-12-7-2-1-6-11(12)14(21)18-17-13(20)9-10-5-3-4-8-19(10)15(22)23/h1-2,6-7,10H,3-5,8-9H2,(H,17,20)(H,18,21)(H,22,23)
InChIKeyOUXPGRNQKLVVHS-UHFFFAOYSA-N
XLogP1.51
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.51
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

Benzo(2'-(1-benzyl-4-piperidyl))hydrazide
CID 73103
FK-960
CID 181428
4-Fluoro-benzoic acid N'-(2-oxo-2-piperidin-1-yl-acetyl)-hydrazide
CID 3121381
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4789972
Benzamide, N-(1-acetyl-4-piperidinyl)-4-fluoro-
CID 9816738
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
FK-960 monohydrate
CID 6918345
N-(1-ethylpiperidin-4-yl)-4-fluorobenzamide
CID 17249675
N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 17249712
4-fluoro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249833

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid (CID 67157482) is 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid is O=C(CC1CCCCN1C(=O)O)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
The InChIKey is OUXPGRNQKLVVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c16-12-7-2-1-6-11(12)14(21)18-17-13(20)9-10-5-3-4-8-19(10)15(22)23/h1-2,6-7,10H,3-5,8-9H2,(H,17,20)(H,18,21)(H,22,23).
What are the key properties of 2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid?
2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid has a molecular weight of 323.32 g/mol, XLogP of 1.51, 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-fluorobenzoyl)hydrazinyl]-2-oxoethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67157482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).