2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone

C23H24ClN3O3 — CID 91810056

IUPAC2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1Cl
InChIInChI=1S/C23H24ClN3O3/c1-29-20-8-7-17(13-19(20)24)15-22(28)27-11-9-16(10-12-27)14-21-25-23(26-30-21)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyOJXIAEMIXICBBA-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.42
Rot. Bonds6

About 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone

2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 91810056) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
PubChem CID91810056
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1Cl
InChIInChI=1S/C23H24ClN3O3/c1-29-20-8-7-17(13-19(20)24)15-22(28)27-11-9-16(10-12-27)14-21-25-23(26-30-21)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyOJXIAEMIXICBBA-UHFFFAOYSA-N
XLogP4.42
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 91810056) is 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is OJXIAEMIXICBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-29-20-8-7-17(13-19(20)24)15-22(28)27-11-9-16(10-12-27)14-21-25-23(26-30-21)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 425.92 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91810056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).