1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

C20H25N3O3 — CID 53191967

IUPAC1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C20H25N3O3/c1-25-17-8-3-2-6-14(17)11-12-18(24)23-13-5-4-7-16(23)20-21-19(22-26-20)15-9-10-15/h2-3,6,8,15-16H,4-5,7,9-13H2,1H3
InChIKeyPENVXNWSNDBDLF-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.64
Rot. Bonds6

About 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 53191967) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID53191967
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C20H25N3O3/c1-25-17-8-3-2-6-14(17)11-12-18(24)23-13-5-4-7-16(23)20-21-19(22-26-20)15-9-10-15/h2-3,6,8,15-16H,4-5,7,9-13H2,1H3
InChIKeyPENVXNWSNDBDLF-UHFFFAOYSA-N
XLogP3.64
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 53191967) is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CCCCC1c1nc(C2CC2)no1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is PENVXNWSNDBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-8-3-2-6-14(17)11-12-18(24)23-13-5-4-7-16(23)20-21-19(22-26-20)15-9-10-15/h2-3,6,8,15-16H,4-5,7,9-13H2,1H3.
What are the key properties of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 53191967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).