1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one

C24H28N4O3 — CID 59398270

IUPAC1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H28N4O3/c29-24-17-26-20-3-1-2-4-21(20)28(24)12-11-27-9-7-19(8-10-27)25-16-18-5-6-22-23(15-18)31-14-13-30-22/h1-6,15,17,19,25H,7-14,16H2
InChIKeyFPBGRKZFJSJSMP-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one (PubChem CID 59398270) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
PubChem CID59398270
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H28N4O3/c29-24-17-26-20-3-1-2-4-21(20)28(24)12-11-27-9-7-19(8-10-27)25-16-18-5-6-22-23(15-18)31-14-13-30-22/h1-6,15,17,19,25H,7-14,16H2
InChIKeyFPBGRKZFJSJSMP-UHFFFAOYSA-N
XLogP2.42
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one (CID 59398270) is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one?
The InChIKey is FPBGRKZFJSJSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-24-17-26-20-3-1-2-4-21(20)28(24)12-11-27-9-7-19(8-10-27)25-16-18-5-6-22-23(15-18)31-14-13-30-22/h1-6,15,17,19,25H,7-14,16H2.
What are the key properties of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one?
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one has a molecular weight of 420.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one is sourced from PubChem (CID 59398270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).