2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile

C23H24N4O2 — CID 126953172

IUPAC2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C23H24N4O2/c24-15-17-3-2-10-25-23(17)26-11-6-19(7-12-26)29-22-5-1-4-21-20(22)8-13-27(21)18-9-14-28-16-18/h1-5,8,10,13,18-19H,6-7,9,11-12,14,16H2
InChIKeyMBVNHMJRNLJHOI-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile

2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126953172) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
PubChem CID126953172
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C23H24N4O2/c24-15-17-3-2-10-25-23(17)26-11-6-19(7-12-26)29-22-5-1-4-21-20(22)8-13-27(21)18-9-14-28-16-18/h1-5,8,10,13,18-19H,6-7,9,11-12,14,16H2
InChIKeyMBVNHMJRNLJHOI-UHFFFAOYSA-N
XLogP3.92
TPSA63.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.92
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
4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953313
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953177
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
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 166209187
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287
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
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-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 163350288

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile (CID 126953172) is 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1.
What is the InChIKey of 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MBVNHMJRNLJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-15-17-3-2-10-25-23(17)26-11-6-19(7-12-26)29-22-5-1-4-21-20(22)8-13-27(21)18-9-14-28-16-18/h1-5,8,10,13,18-19H,6-7,9,11-12,14,16H2.
What are the key properties of 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile?
2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126953172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).