2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one

C21H23N3O3 — CID 131916966

IUPAC2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
SMILESCc1noc(C2CCCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)n1
InChIInChI=1S/C21H23N3O3/c1-14-22-21(27-23-14)18-9-5-6-12-24(18)20(26)13-17-16(10-11-19(17)25)15-7-3-2-4-8-15/h2-4,7-8,18H,5-6,9-13H2,1H3
InChIKeyPQYNMURTZKLUBR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.64
Rot. Bonds4

About 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one

2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one (PubChem CID 131916966) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
PubChem CID131916966
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
SMILESCc1noc(C2CCCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)n1
InChIInChI=1S/C21H23N3O3/c1-14-22-21(27-23-14)18-9-5-6-12-24(18)20(26)13-17-16(10-11-19(17)25)15-7-3-2-4-8-15/h2-4,7-8,18H,5-6,9-13H2,1H3
InChIKeyPQYNMURTZKLUBR-UHFFFAOYSA-N
XLogP3.64
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70727121
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90564019
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 90564177
4-methyl-2-[2-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97125817
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068
N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]piperidin-2-one
CID 96580102
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 125143048

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
The IUPAC name of 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one (CID 131916966) is 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one is Cc1noc(C2CCCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)n1.
What is the InChIKey of 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
The InChIKey is PQYNMURTZKLUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-22-21(27-23-14)18-9-5-6-12-24(18)20(26)13-17-16(10-11-19(17)25)15-7-3-2-4-8-15/h2-4,7-8,18H,5-6,9-13H2,1H3.
What are the key properties of 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one has a molecular weight of 365.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 131916966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).