8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole

C22H22N2O4S — CID 46394757

IUPAC8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole
SMILESO=S(=O)(c1ccc2c(c1)-c1oncc1CO2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N2O4S/c25-29(26,24-10-8-17(9-11-24)12-16-4-2-1-3-5-16)19-6-7-21-20(13-19)22-18(15-27-21)14-23-28-22/h1-7,13-14,17H,8-12,15H2
InChIKeyQHVHAOPOKDHZRW-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.88
Rot. Bonds4

About 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole

8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole (PubChem CID 46394757) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole
PubChem CID46394757
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole
SMILESO=S(=O)(c1ccc2c(c1)-c1oncc1CO2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N2O4S/c25-29(26,24-10-8-17(9-11-24)12-16-4-2-1-3-5-16)19-6-7-21-20(13-19)22-18(15-27-21)14-23-28-22/h1-7,13-14,17H,8-12,15H2
InChIKeyQHVHAOPOKDHZRW-UHFFFAOYSA-N
XLogP3.88
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
CID 1129609
8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-4H-chromeno[3,4-d][1,2]oxazole
CID 46394778
6-(4-benzylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 110345025
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
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6-(4-benzylpiperidin-1-yl)sulfonyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-benzoxazin-3-one
CID 50824736
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3855275
3-(4-benzylpiperidin-1-yl)sulfonylbenzonitrile
CID 3258260
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981
8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
CID 55255299

Frequently Asked Questions

What is the IUPAC name of 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole?
The IUPAC name of 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole (CID 46394757) is 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole.
What is the SMILES notation for 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole?
The canonical SMILES for 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole is O=S(=O)(c1ccc2c(c1)-c1oncc1CO2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole?
The InChIKey is QHVHAOPOKDHZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-29(26,24-10-8-17(9-11-24)12-16-4-2-1-3-5-16)19-6-7-21-20(13-19)22-18(15-27-21)14-23-28-22/h1-7,13-14,17H,8-12,15H2.
What are the key properties of 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole?
8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole has a molecular weight of 410.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-benzylpiperidin-1-yl)sulfonyl-4H-chromeno[3,4-d][1,2]oxazole is sourced from PubChem (CID 46394757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).