4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole

C19H24N4O3S — CID 126951893

IUPAC4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
SMILESCc1nc(S(=O)(=O)N2CCC(Oc3cccc4c3ccn4C)CC2)cn1C
InChIInChI=1S/C19H24N4O3S/c1-14-20-19(13-22(14)3)27(24,25)23-11-7-15(8-12-23)26-18-6-4-5-17-16(18)9-10-21(17)2/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3
InChIKeyHDYCPGNUFAUJDF-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.45
Rot. Bonds4

About 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole

4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole (PubChem CID 126951893) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole.

Molecular Properties

Compound Name4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
PubChem CID126951893
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
SMILESCc1nc(S(=O)(=O)N2CCC(Oc3cccc4c3ccn4C)CC2)cn1C
InChIInChI=1S/C19H24N4O3S/c1-14-20-19(13-22(14)3)27(24,25)23-11-7-15(8-12-23)26-18-6-4-5-17-16(18)9-10-21(17)2/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3
InChIKeyHDYCPGNUFAUJDF-UHFFFAOYSA-N
XLogP2.45
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
CID 126951890
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
5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126951964
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 47092482
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
4-benzylsulfonyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 121022794
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
CID 97239217

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole?
The IUPAC name of 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole (CID 126951893) is 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole.
What is the SMILES notation for 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole?
The canonical SMILES for 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole is Cc1nc(S(=O)(=O)N2CCC(Oc3cccc4c3ccn4C)CC2)cn1C.
What is the InChIKey of 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole?
The InChIKey is HDYCPGNUFAUJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-20-19(13-22(14)3)27(24,25)23-11-7-15(8-12-23)26-18-6-4-5-17-16(18)9-10-21(17)2/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3.
What are the key properties of 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole?
4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole has a molecular weight of 388.49 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole is sourced from PubChem (CID 126951893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).