4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole

C23H28N4O2 — CID 126953177

IUPAC4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
SMILESCc1cc(C)nc(N2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)n1
InChIInChI=1S/C23H28N4O2/c1-16-14-17(2)25-23(24-16)26-10-6-19(7-11-26)29-22-5-3-4-21-20(22)8-12-27(21)18-9-13-28-15-18/h3-5,8,12,14,18-19H,6-7,9-11,13,15H2,1-2H3
InChIKeyYPDPXUDKEYOVBU-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.06
Rot. Bonds4

About 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole

4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole (PubChem CID 126953177) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole.

Molecular Properties

Compound Name4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
PubChem CID126953177
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
SMILESCc1cc(C)nc(N2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)n1
InChIInChI=1S/C23H28N4O2/c1-16-14-17(2)25-23(24-16)26-10-6-19(7-11-26)29-22-5-3-4-21-20(22)8-12-27(21)18-9-13-28-15-18/h3-5,8,12,14,18-19H,6-7,9-11,13,15H2,1-2H3
InChIKeyYPDPXUDKEYOVBU-UHFFFAOYSA-N
XLogP4.06
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953211
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
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
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
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
CID 126953064
[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 126952991

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The IUPAC name of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole (CID 126953177) is 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole.
What is the SMILES notation for 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The canonical SMILES for 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole is Cc1cc(C)nc(N2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)n1.
What is the InChIKey of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The InChIKey is YPDPXUDKEYOVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-14-17(2)25-23(24-16)26-10-6-19(7-11-26)29-22-5-3-4-21-20(22)8-12-27(21)18-9-13-28-15-18/h3-5,8,12,14,18-19H,6-7,9-11,13,15H2,1-2H3.
What are the key properties of 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole has a molecular weight of 392.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole is sourced from PubChem (CID 126953177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).