(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid

C14H16N4O2 — CID 97168760

IUPAC(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESNc1ccc2nc(N3CCC[C@H](C(=O)O)C3)cnc2c1
InChIInChI=1S/C14H16N4O2/c15-10-3-4-11-12(6-10)16-7-13(17-11)18-5-1-2-9(8-18)14(19)20/h3-4,6-7,9H,1-2,5,8,15H2,(H,19,20)/t9-/m0/s1
InChIKeyUZEUJJBGZUEUSL-VIFPVBQESA-N
MW272.31 g/mol
LogP1.51
Rot. Bonds2

About (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid

(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid (PubChem CID 97168760) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid
PubChem CID97168760
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESNc1ccc2nc(N3CCC[C@H](C(=O)O)C3)cnc2c1
InChIInChI=1S/C14H16N4O2/c15-10-3-4-11-12(6-10)16-7-13(17-11)18-5-1-2-9(8-18)14(19)20/h3-4,6-7,9H,1-2,5,8,15H2,(H,19,20)/t9-/m0/s1
InChIKeyUZEUJJBGZUEUSL-VIFPVBQESA-N
XLogP1.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122051206
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
CID 95556864
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
CID 71644205
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid (CID 97168760) is (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid is Nc1ccc2nc(N3CCC[C@H](C(=O)O)C3)cnc2c1.
What is the InChIKey of (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is UZEUJJBGZUEUSL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N4O2/c15-10-3-4-11-12(6-10)16-7-13(17-11)18-5-1-2-9(8-18)14(19)20/h3-4,6-7,9H,1-2,5,8,15H2,(H,19,20)/t9-/m0/s1.
What are the key properties of (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid?
(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97168760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).