1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole

C20H26N4O3S — CID 126951890

IUPAC1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(Oc3cccc4c3ccn4C)CC2)c1
InChIInChI=1S/C20H26N4O3S/c1-15(2)23-13-20(21-14-23)28(25,26)24-11-7-16(8-12-24)27-19-6-4-5-18-17(19)9-10-22(18)3/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3
InChIKeyIRELSHFVVCJAEF-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.19
Rot. Bonds5

About 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole

1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole (PubChem CID 126951890) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole.

Molecular Properties

Compound Name1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
PubChem CID126951890
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(Oc3cccc4c3ccn4C)CC2)c1
InChIInChI=1S/C20H26N4O3S/c1-15(2)23-13-20(21-14-23)28(25,26)24-11-7-16(8-12-24)27-19-6-4-5-18-17(19)9-10-22(18)3/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3
InChIKeyIRELSHFVVCJAEF-UHFFFAOYSA-N
XLogP3.19
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
CID 126951893
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129329420
3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 126951887
4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
CID 126951892
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200
5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126951964
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole?
The IUPAC name of 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole (CID 126951890) is 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole.
What is the SMILES notation for 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole?
The canonical SMILES for 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole is CC(C)n1cnc(S(=O)(=O)N2CCC(Oc3cccc4c3ccn4C)CC2)c1.
What is the InChIKey of 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole?
The InChIKey is IRELSHFVVCJAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15(2)23-13-20(21-14-23)28(25,26)24-11-7-16(8-12-24)27-19-6-4-5-18-17(19)9-10-22(18)3/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3.
What are the key properties of 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole?
1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole has a molecular weight of 402.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole is sourced from PubChem (CID 126951890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).