1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C20H24N4O2 — CID 53191936

IUPAC1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCCc1noc(C2CCCCN2C(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H24N4O2/c1-2-18-22-20(26-23-18)17-9-5-6-12-24(17)19(25)11-10-14-13-21-16-8-4-3-7-15(14)16/h3-4,7-8,13,17,21H,2,5-6,9-12H2,1H3
InChIKeyUGGCBDHJQZLGQF-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 53191936) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID53191936
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCCc1noc(C2CCCCN2C(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H24N4O2/c1-2-18-22-20(26-23-18)17-9-5-6-12-24(17)19(25)11-10-14-13-21-16-8-4-3-7-15(14)16/h3-4,7-8,13,17,21H,2,5-6,9-12H2,1H3
InChIKeyUGGCBDHJQZLGQF-UHFFFAOYSA-N
XLogP3.80
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 53191936) is 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is CCc1noc(C2CCCCN2C(=O)CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is UGGCBDHJQZLGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-18-22-20(26-23-18)17-9-5-6-12-24(17)19(25)11-10-14-13-21-16-8-4-3-7-15(14)16/h3-4,7-8,13,17,21H,2,5-6,9-12H2,1H3.
What are the key properties of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 352.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 53191936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).