4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole

C22H26N4O2 — CID 126953211

IUPAC4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
SMILESCc1nccnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C22H26N4O2/c1-16-22(24-10-9-23-16)25-11-5-18(6-12-25)28-21-4-2-3-20-19(21)7-13-26(20)17-8-14-27-15-17/h2-4,7,9-10,13,17-18H,5-6,8,11-12,14-15H2,1H3
InChIKeyKISYTLHTHXUUMD-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.75
Rot. Bonds4

About 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole

4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole (PubChem CID 126953211) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole.

Molecular Properties

Compound Name4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
PubChem CID126953211
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
SMILESCc1nccnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C22H26N4O2/c1-16-22(24-10-9-23-16)25-11-5-18(6-12-25)28-21-4-2-3-20-19(21)7-13-26(20)17-8-14-27-15-17/h2-4,7,9-10,13,17-18H,5-6,8,11-12,14-15H2,1H3
InChIKeyKISYTLHTHXUUMD-UHFFFAOYSA-N
XLogP3.75
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 126953172
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953177
4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953313
1-(2-methoxyethyl)-4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxyindole
CID 126952243
5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
CID 126953281
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222
5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
CID 126953064

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The IUPAC name of 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole (CID 126953211) is 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole.
What is the SMILES notation for 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The canonical SMILES for 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole is Cc1nccnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1.
What is the InChIKey of 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The InChIKey is KISYTLHTHXUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-22(24-10-9-23-16)25-11-5-18(6-12-25)28-21-4-2-3-20-19(21)7-13-26(20)17-8-14-27-15-17/h2-4,7,9-10,13,17-18H,5-6,8,11-12,14-15H2,1H3.
What are the key properties of 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole has a molecular weight of 378.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole is sourced from PubChem (CID 126953211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).