1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid

C15H18N4O2 — CID 71648035

IUPAC1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
SMILESCNc1nc2ccccc2nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18N4O2/c1-16-13-14(18-12-5-3-2-4-11(12)17-13)19-8-6-10(7-9-19)15(20)21/h2-5,10H,6-9H2,1H3,(H,16,17)(H,20,21)
InChIKeyGXBIALNINIAQFW-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.97
Rot. Bonds3

About 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid

1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid (PubChem CID 71648035) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
PubChem CID71648035
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
SMILESCNc1nc2ccccc2nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18N4O2/c1-16-13-14(18-12-5-3-2-4-11(12)17-13)19-8-6-10(7-9-19)15(20)21/h2-5,10H,6-9H2,1H3,(H,16,17)(H,20,21)
InChIKeyGXBIALNINIAQFW-UHFFFAOYSA-N
XLogP1.97
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[4-(methylamino)piperidin-1-yl]quinoxalin-2-amine
CID 71642821
[1-[3-(methylamino)quinoxalin-2-yl]pyrrolidin-3-yl]methanol
CID 71648040
(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol
CID 71648045
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid
CID 122064611
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
methyl 2-[[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]methyl]cyclohexane-1-carboxylate
CID 108778256
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
CID 30177987
2-(oxan-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 126766134
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
CID 30709253

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid (CID 71648035) is 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid is CNc1nc2ccccc2nc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is GXBIALNINIAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-13-14(18-12-5-3-2-4-11(12)17-13)19-8-6-10(7-9-19)15(20)21/h2-5,10H,6-9H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid?
1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 71648035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).