5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid

C25H27N3O3 — CID 57410871

IUPAC5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc2cc(C(=O)N3CCCCC3)ccc2nc1-c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-23(30)12-6-5-11-21-24(18-9-3-1-4-10-18)27-20-14-13-19(17-22(20)26-21)25(31)28-15-7-2-8-16-28/h1,3-4,9-10,13-14,17H,2,5-8,11-12,15-16H2,(H,29,30)
InChIKeyKHLZAFFKSHZTBQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.72
Rot. Bonds7

About 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid

5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid (PubChem CID 57410871) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
PubChem CID57410871
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc2cc(C(=O)N3CCCCC3)ccc2nc1-c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-23(30)12-6-5-11-21-24(18-9-3-1-4-10-18)27-20-14-13-19(17-22(20)26-21)25(31)28-15-7-2-8-16-28/h1,3-4,9-10,13-14,17H,2,5-8,11-12,15-16H2,(H,29,30)
InChIKeyKHLZAFFKSHZTBQ-UHFFFAOYSA-N
XLogP4.72
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid 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

(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135300433
5-[3-(4-methylphenyl)-7-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
CID 123825610
(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135290855
5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid
CID 57411738
5-[3-phenyl-7-[[(1S)-1-phenylethyl]carbamoyl]quinoxalin-2-yl]pentanoic acid
CID 57410037
5-[3-(4-chlorophenyl)-7-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethenyl]quinoxalin-2-yl]pentanoic acid
CID 129209899
5-[3-(2-acetylphenyl)-7-(4-cyclohexa-1,5-dien-1-ylpiperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
CID 129210524
5-[3-(4-chlorophenyl)-7-[4-(4-methoxy-3-methylcyclohexa-1,5-dien-1-yl)piperazine-1-carbonyl]quinoxalin-2-yl]pentanoic acid
CID 123222304
5-[7-[2-(4-fluorophenyl)ethylcarbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 67982176
5-[7-[2-(4-chlorophenyl)ethylcarbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 129185295
5-[7-[[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 67985071
5-[7-[amino(pyridin-2-ylmethyl)carbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 129210465

Frequently Asked Questions

What is the IUPAC name of 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid?
The IUPAC name of 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid (CID 57410871) is 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid.
What is the SMILES notation for 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid?
The canonical SMILES for 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid is O=C(O)CCCCc1nc2cc(C(=O)N3CCCCC3)ccc2nc1-c1ccccc1.
What is the InChIKey of 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid?
The InChIKey is KHLZAFFKSHZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-23(30)12-6-5-11-21-24(18-9-3-1-4-10-18)27-20-14-13-19(17-22(20)26-21)25(31)28-15-7-2-8-16-28/h1,3-4,9-10,13-14,17H,2,5-8,11-12,15-16H2,(H,29,30).
What are the key properties of 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid?
5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid has a molecular weight of 417.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid is sourced from PubChem (CID 57410871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).