N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide

C13H16FN3O2 — CID 107435694

IUPACN-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-8(9-2-4-10(14)5-3-9)17-13(19)11-6-16-12(18)7-15-11/h2-5,8,11,15H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyQIIXWDOGMRRLNF-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.09
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435694) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435694
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-8(9-2-4-10(14)5-3-9)17-13(19)11-6-16-12(18)7-15-11/h2-5,8,11,15H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyQIIXWDOGMRRLNF-UHFFFAOYSA-N
XLogP0.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]piperazine-2-carboxamide
CID 114158960
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437229
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437231
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433640
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81349681
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107434854
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 104921807
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide (CID 107435694) is N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide is CC(NC(=O)C1CNC(=O)CN1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is QIIXWDOGMRRLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8(9-2-4-10(14)5-3-9)17-13(19)11-6-16-12(18)7-15-11/h2-5,8,11,15H,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).