4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone

C18H24N2O6S — CID 75473926

IUPAC4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)COCO2)N1CCCC(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H24N2O6S/c21-18(14-3-4-17-15(10-14)12-25-13-26-17)19-5-1-2-16(11-19)27(22,23)20-6-8-24-9-7-20/h3-4,10,16H,1-2,5-9,11-13H2
InChIKeyGDVQRRAWFQTAKW-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.82
Rot. Bonds3

About 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone

4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone (PubChem CID 75473926) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
PubChem CID75473926
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)COCO2)N1CCCC(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H24N2O6S/c21-18(14-3-4-17-15(10-14)12-25-13-26-17)19-5-1-2-16(11-19)27(22,23)20-6-8-24-9-7-20/h3-4,10,16H,1-2,5-9,11-13H2
InChIKeyGDVQRRAWFQTAKW-UHFFFAOYSA-N
XLogP0.82
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide
CID 63744549
[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 97343487
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
(3S)-3-morpholin-4-ylsulfonyl-N-phenylpiperidine-1-carboxamide
CID 97343329
[(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 31006939
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
3-[1-(4H-1,3-benzodioxine-6-carbonyl)piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 166239972
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473924
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558

Frequently Asked Questions

What is the IUPAC name of 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone (CID 75473926) is 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone is O=C(c1ccc2c(c1)COCO2)N1CCCC(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
The InChIKey is GDVQRRAWFQTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c21-18(14-3-4-17-15(10-14)12-25-13-26-17)19-5-1-2-16(11-19)27(22,23)20-6-8-24-9-7-20/h3-4,10,16H,1-2,5-9,11-13H2.
What are the key properties of 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone?
4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone has a molecular weight of 396.47 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 75473926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).