2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide

C23H28N2O4S — CID 68710362

IUPAC2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
SMILESCC1C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)Oc2cccnc2S1(=O)=O
InChIInChI=1S/C23H28N2O4S/c1-16-22(29-21-6-3-13-24-23(21)30(16,26)27)17-7-9-19(10-8-17)28-20-11-14-25(15-12-20)18-4-2-5-18/h3,6-10,13,16,18,20,22H,2,4-5,11-12,14-15H2,1H3
InChIKeyCBWIJKCINUGRQP-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.77
Rot. Bonds4

About 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide

2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide (PubChem CID 68710362) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide.

Molecular Properties

Compound Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
PubChem CID68710362
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
SMILESCC1C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)Oc2cccnc2S1(=O)=O
InChIInChI=1S/C23H28N2O4S/c1-16-22(29-21-6-3-13-24-23(21)30(16,26)27)17-7-9-19(10-8-17)28-20-11-14-25(15-12-20)18-4-2-5-18/h3,6-10,13,16,18,20,22H,2,4-5,11-12,14-15H2,1H3
InChIKeyCBWIJKCINUGRQP-UHFFFAOYSA-N
XLogP3.77
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide with MolForge

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Related Compounds

(2R,3R)-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methyl-2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide
CID 67276770
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one
CID 58522828
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
CID 24996645
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 11441745
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 59651877
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine
CID 141120874

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
The IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide (CID 68710362) is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide.
What is the SMILES notation for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
The canonical SMILES for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide is CC1C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)Oc2cccnc2S1(=O)=O.
What is the InChIKey of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
The InChIKey is CBWIJKCINUGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-22(29-21-6-3-13-24-23(21)30(16,26)27)17-7-9-19(10-8-17)28-20-11-14-25(15-12-20)18-4-2-5-18/h3,6-10,13,16,18,20,22H,2,4-5,11-12,14-15H2,1H3.
What are the key properties of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide?
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide has a molecular weight of 428.55 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide is sourced from PubChem (CID 68710362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).