2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone

C24H24N4O3 — CID 53121814

IUPAC2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)no2)c1
InChIInChI=1S/C24H24N4O3/c1-30-19-6-4-5-17(13-19)24-26-23(27-31-24)16-9-11-28(12-10-16)22(29)14-18-15-25-21-8-3-2-7-20(18)21/h2-8,13,15-16,25H,9-12,14H2,1H3
InChIKeyBCMIMGKCTWHRNX-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.18
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 53121814) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID53121814
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)no2)c1
InChIInChI=1S/C24H24N4O3/c1-30-19-6-4-5-17(13-19)24-26-23(27-31-24)16-9-11-28(12-10-16)22(29)14-18-15-25-21-8-3-2-7-20(18)21/h2-8,13,15-16,25H,9-12,14H2,1H3
InChIKeyBCMIMGKCTWHRNX-UHFFFAOYSA-N
XLogP4.18
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 53121814) is 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is COc1cccc(-c2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)no2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is BCMIMGKCTWHRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-19-6-4-5-17(13-19)24-26-23(27-31-24)16-9-11-28(12-10-16)22(29)14-18-15-25-21-8-3-2-7-20(18)21/h2-8,13,15-16,25H,9-12,14H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 416.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53121814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).