[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

C25H26FN3O3 — CID 91906454

IUPAC[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(Cc4nc(-c5ccc(F)cc5)no4)CC3)CC2)cc1
InChIInChI=1S/C25H26FN3O3/c1-31-21-8-4-19(5-9-21)25(12-13-25)24(30)29-14-10-17(11-15-29)16-22-27-23(28-32-22)18-2-6-20(26)7-3-18/h2-9,17H,10-16H2,1H3
InChIKeyBCBZILUPXQCHLE-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.40
Rot. Bonds6

About [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 91906454) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID91906454
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(Cc4nc(-c5ccc(F)cc5)no4)CC3)CC2)cc1
InChIInChI=1S/C25H26FN3O3/c1-31-21-8-4-19(5-9-21)25(12-13-25)24(30)29-14-10-17(11-15-29)16-22-27-23(28-32-22)18-2-6-20(26)7-3-18/h2-9,17H,10-16H2,1H3
InChIKeyBCBZILUPXQCHLE-UHFFFAOYSA-N
XLogP4.40
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (CID 91906454) is [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is COc1ccc(C2(C(=O)N3CCC(Cc4nc(-c5ccc(F)cc5)no4)CC3)CC2)cc1.
What is the InChIKey of [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is BCBZILUPXQCHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-31-21-8-4-19(5-9-21)25(12-13-25)24(30)29-14-10-17(11-15-29)16-22-27-23(28-32-22)18-2-6-20(26)7-3-18/h2-9,17H,10-16H2,1H3.
What are the key properties of [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 435.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 91906454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).