4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one

C22H23N3O6S — CID 26860516

IUPAC4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2N1
InChIInChI=1S/C22H23N3O6S/c26-21-14-25(18-4-2-1-3-17(18)23-21)22(27)15-7-9-24(10-8-15)32(28,29)16-5-6-19-20(13-16)31-12-11-30-19/h1-6,13,15H,7-12,14H2,(H,23,26)
InChIKeyYDCQWNWXMCMMFO-UHFFFAOYSA-N
MW457.51 g/mol
LogP1.84
Rot. Bonds3

About 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 26860516) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID26860516
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2N1
InChIInChI=1S/C22H23N3O6S/c26-21-14-25(18-4-2-1-3-17(18)23-21)22(27)15-7-9-24(10-8-15)32(28,29)16-5-6-19-20(13-16)31-12-11-30-19/h1-6,13,15H,7-12,14H2,(H,23,26)
InChIKeyYDCQWNWXMCMMFO-UHFFFAOYSA-N
XLogP1.84
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 46361733
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 26500531
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
6-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53068465
4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 43004414
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119452143
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenylpiperidine-4-carboxamide
CID 4824119
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 2571373
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 26860516) is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2N1.
What is the InChIKey of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is YDCQWNWXMCMMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c26-21-14-25(18-4-2-1-3-17(18)23-21)22(27)15-7-9-24(10-8-15)32(28,29)16-5-6-19-20(13-16)31-12-11-30-19/h1-6,13,15H,7-12,14H2,(H,23,26).
What are the key properties of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 457.51 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 26860516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).