(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid

C15H15N3O3 — CID 104614152

IUPAC(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N3O3/c19-14(18-9-2-1-6-12(18)15(20)21)10-4-3-5-11-13(10)17-8-7-16-11/h3-5,7-8,12H,1-2,6,9H2,(H,20,21)/t12-/m1/s1
InChIKeyNWXFNTXPALRKIH-GFCCVEGCSA-N
MW285.30 g/mol
LogP1.71
Rot. Bonds2

About (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 104614152) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID104614152
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N3O3/c19-14(18-9-2-1-6-12(18)15(20)21)10-4-3-5-11-13(10)17-8-7-16-11/h3-5,7-8,12H,1-2,6,9H2,(H,20,21)/t12-/m1/s1
InChIKeyNWXFNTXPALRKIH-GFCCVEGCSA-N
XLogP1.71
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic 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

(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775875
1-[2-[[2-(2-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]piperidine-2-carboxylic acid
CID 10346856
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
1-(2-sulfanylbenzoyl)piperidine-2-carboxylic acid
CID 10422982
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 74245280
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 140517997

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid (CID 104614152) is (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cccc2nccnc12.
What is the InChIKey of (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is NWXFNTXPALRKIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(18-9-2-1-6-12(18)15(20)21)10-4-3-5-11-13(10)17-8-7-16-11/h3-5,7-8,12H,1-2,6,9H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104614152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).