4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole

C21H23FN4O2 — CID 126953313

IUPAC4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
SMILESFc1cncnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C21H23FN4O2/c22-18-12-23-14-24-21(18)25-8-4-16(5-9-25)28-20-3-1-2-19-17(20)6-10-26(19)15-7-11-27-13-15/h1-3,6,10,12,14-16H,4-5,7-9,11,13H2
InChIKeyTVUZMMPNNWFTFL-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.58
Rot. Bonds4

About 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole

4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole (PubChem CID 126953313) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole.

Molecular Properties

Compound Name4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
PubChem CID126953313
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
SMILESFc1cncnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C21H23FN4O2/c22-18-12-23-14-24-21(18)25-8-4-16(5-9-25)28-20-3-1-2-19-17(20)6-10-26(19)15-7-11-27-13-15/h1-3,6,10,12,14-16H,4-5,7-9,11,13H2
InChIKeyTVUZMMPNNWFTFL-UHFFFAOYSA-N
XLogP3.58
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.58
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-[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
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
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
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
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222
1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126951941
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-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The IUPAC name of 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole (CID 126953313) is 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole.
What is the SMILES notation for 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The canonical SMILES for 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole is Fc1cncnc1N1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1.
What is the InChIKey of 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
The InChIKey is TVUZMMPNNWFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-18-12-23-14-24-21(18)25-8-4-16(5-9-25)28-20-3-1-2-19-17(20)6-10-26(19)15-7-11-27-13-15/h1-3,6,10,12,14-16H,4-5,7-9,11,13H2.
What are the key properties of 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole?
4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole has a molecular weight of 382.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole is sourced from PubChem (CID 126953313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).