1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C23H23N3O4 — CID 68689124

IUPAC1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCC(=O)c1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C23H23N3O4/c1-16(27)17-10-12-18(13-11-17)23-24-22(25-30-23)20-9-5-6-14-26(20)21(28)15-29-19-7-3-2-4-8-19/h2-4,7-8,10-13,20H,5-6,9,14-15H2,1H3/t20-/m1/s1
InChIKeyPRUAYVZTRCAJTF-HXUWFJFHSA-N
MW405.45 g/mol
LogP4.07
Rot. Bonds6

About 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68689124) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68689124
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCC(=O)c1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C23H23N3O4/c1-16(27)17-10-12-18(13-11-17)23-24-22(25-30-23)20-9-5-6-14-26(20)21(28)15-29-19-7-3-2-4-8-19/h2-4,7-8,10-13,20H,5-6,9,14-15H2,1H3/t20-/m1/s1
InChIKeyPRUAYVZTRCAJTF-HXUWFJFHSA-N
XLogP4.07
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68689124) is 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is CC(=O)c1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1.
What is the InChIKey of 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is PRUAYVZTRCAJTF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16(27)17-10-12-18(13-11-17)23-24-22(25-30-23)20-9-5-6-14-26(20)21(28)15-29-19-7-3-2-4-8-19/h2-4,7-8,10-13,20H,5-6,9,14-15H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 405.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68689124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).