N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine

C22H29N5O2S — CID 126953222

IUPACN,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)ns1
InChIInChI=1S/C22H29N5O2S/c1-25(2)22-23-21(24-30-22)14-26-10-6-17(7-11-26)29-20-5-3-4-19-18(20)8-12-27(19)16-9-13-28-15-16/h3-5,8,12,16-17H,6-7,9-11,13-15H2,1-2H3
InChIKeyUDVKYWMGIIAFDB-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.56
Rot. Bonds6

About N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine

N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 126953222) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID126953222
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC NameN,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)ns1
InChIInChI=1S/C22H29N5O2S/c1-25(2)22-23-21(24-30-22)14-26-10-6-17(7-11-26)29-20-5-3-4-19-18(20)8-12-27(19)16-9-13-28-15-16/h3-5,8,12,16-17H,6-7,9-11,13-15H2,1-2H3
InChIKeyUDVKYWMGIIAFDB-UHFFFAOYSA-N
XLogP3.56
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
CID 126953281
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953177
4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953211
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
2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 126953172
4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953313
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126953033
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 N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 126953222) is N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)ns1.
What is the InChIKey of N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is UDVKYWMGIIAFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-25(2)22-23-21(24-30-22)14-26-10-6-17(7-11-26)29-20-5-3-4-19-18(20)8-12-27(19)16-9-13-28-15-16/h3-5,8,12,16-17H,6-7,9-11,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 427.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126953222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).