3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid

C19H24N4O2 — CID 122052354

IUPAC3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2nc3ccccc3nc2N2CCCCC2)C1
InChIInChI=1S/C19H24N4O2/c1-19(18(24)25)9-12-23(13-19)17-16(22-10-5-2-6-11-22)20-14-7-3-4-8-15(14)21-17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,24,25)
InChIKeyGJANYOOPDPAELZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.92
Rot. Bonds3

About 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid

3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122052354) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID122052354
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2nc3ccccc3nc2N2CCCCC2)C1
InChIInChI=1S/C19H24N4O2/c1-19(18(24)25)9-12-23(13-19)17-16(22-10-5-2-6-11-22)20-14-7-3-4-8-15(14)21-17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,24,25)
InChIKeyGJANYOOPDPAELZ-UHFFFAOYSA-N
XLogP2.92
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid (CID 122052354) is 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2nc3ccccc3nc2N2CCCCC2)C1.
What is the InChIKey of 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is GJANYOOPDPAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(18(24)25)9-12-23(13-19)17-16(22-10-5-2-6-11-22)20-14-7-3-4-8-15(14)21-17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,24,25).
What are the key properties of 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).