5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid

C19H24N4O3 — CID 122106950

IUPAC5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2nc3ccccc3nc2N2CCOCC2)C1
InChIInChI=1S/C19H24N4O3/c1-13-10-14(19(24)25)12-23(11-13)18-17(22-6-8-26-9-7-22)20-15-4-2-3-5-16(15)21-18/h2-5,13-14H,6-12H2,1H3,(H,24,25)
InChIKeyZWNALGONMSHQEQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.01
Rot. Bonds3

About 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid

5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid (PubChem CID 122106950) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid
PubChem CID122106950
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2nc3ccccc3nc2N2CCOCC2)C1
InChIInChI=1S/C19H24N4O3/c1-13-10-14(19(24)25)12-23(11-13)18-17(22-6-8-26-9-7-22)20-15-4-2-3-5-16(15)21-18/h2-5,13-14H,6-12H2,1H3,(H,24,25)
InChIKeyZWNALGONMSHQEQ-UHFFFAOYSA-N
XLogP2.01
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid (CID 122106950) is 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(c2nc3ccccc3nc2N2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is ZWNALGONMSHQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-10-14(19(24)25)12-23(11-13)18-17(22-6-8-26-9-7-22)20-15-4-2-3-5-16(15)21-18/h2-5,13-14H,6-12H2,1H3,(H,24,25).
What are the key properties of 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid?
5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122106950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).