5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole

C19H22N4O4S — CID 131912188

IUPAC5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESCc1cc(C)c2nonc2c1S(=O)(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C19H22N4O4S/c1-13-10-14(2)19(18-17(13)21-27-22-18)28(24,25)23-9-5-7-16(11-23)26-12-15-6-3-4-8-20-15/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3
InChIKeyYPOOYMPEVZEAIU-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.60
Rot. Bonds5

About 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole

5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole (PubChem CID 131912188) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
PubChem CID131912188
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESCc1cc(C)c2nonc2c1S(=O)(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C19H22N4O4S/c1-13-10-14(2)19(18-17(13)21-27-22-18)28(24,25)23-9-5-7-16(11-23)26-12-15-6-3-4-8-20-15/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3
InChIKeyYPOOYMPEVZEAIU-UHFFFAOYSA-N
XLogP2.60
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole 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

2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine
CID 131944267
2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxymethyl]pyridine
CID 131939168
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine
CID 97018217
6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
2-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
CID 71846469
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
CID 125167692

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole (CID 131912188) is 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole is Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCCC(OCc2ccccn2)C1.
What is the InChIKey of 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is YPOOYMPEVZEAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13-10-14(2)19(18-17(13)21-27-22-18)28(24,25)23-9-5-7-16(11-23)26-12-15-6-3-4-8-20-15/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3.
What are the key properties of 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 402.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 131912188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).