2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone

C18H20N4O2 — CID 53032224

IUPAC2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCCCC4)c3c2)o1
InChIInChI=1S/C18H20N4O2/c1-13-19-20-18(24-13)15-6-5-14-7-10-22(16(14)11-15)12-17(23)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyKNCNNHOZUUGBKY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.01
Rot. Bonds3

About 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone

2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 53032224) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID53032224
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCCCC4)c3c2)o1
InChIInChI=1S/C18H20N4O2/c1-13-19-20-18(24-13)15-6-5-14-7-10-22(16(14)11-15)12-17(23)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyKNCNNHOZUUGBKY-UHFFFAOYSA-N
XLogP3.01
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone (CID 53032224) is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone is Cc1nnc(-c2ccc3ccn(CC(=O)N4CCCCC4)c3c2)o1.
What is the InChIKey of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is KNCNNHOZUUGBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-19-20-18(24-13)15-6-5-14-7-10-22(16(14)11-15)12-17(23)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3.
What are the key properties of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 324.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 53032224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).