(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid

C16H19N3O3 — CID 97177738

IUPAC(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
SMILESCCOc1nc2ccccc2nc1N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C16H19N3O3/c1-2-22-15-14(17-11-7-3-4-8-12(11)18-15)19-10-6-5-9-13(19)16(20)21/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyIDDSFRDMRBQTFZ-CYBMUJFWSA-N
MW301.35 g/mol
LogP2.47
Rot. Bonds4

About (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid

(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid (PubChem CID 97177738) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
PubChem CID97177738
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
SMILESCCOc1nc2ccccc2nc1N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C16H19N3O3/c1-2-22-15-14(17-11-7-3-4-8-12(11)18-15)19-10-6-5-9-13(19)16(20)21/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyIDDSFRDMRBQTFZ-CYBMUJFWSA-N
XLogP2.47
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid
CID 97163463
[(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanol
CID 97177742
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
CID 97177741
(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
CID 92735175
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93052335
N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367968
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid (CID 97177738) is (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid is CCOc1nc2ccccc2nc1N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is IDDSFRDMRBQTFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-22-15-14(17-11-7-3-4-8-12(11)18-15)19-10-6-5-9-13(19)16(20)21/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid?
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 97177738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).