[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone

C23H24ClN3O4 — CID 52521512

IUPAC[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-3-30-19-11-8-16(13-20(19)29-2)23(28)27-12-4-5-17(14-27)22-25-21(26-31-22)15-6-9-18(24)10-7-15/h6-11,13,17H,3-5,12,14H2,1-2H3/t17-/m1/s1
InChIKeyOKWPDAFQVAXGJL-QGZVFWFLSA-N
MW441.92 g/mol
LogP4.82
Rot. Bonds6

About [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone

[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone (PubChem CID 52521512) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
PubChem CID52521512
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-3-30-19-11-8-16(13-20(19)29-2)23(28)27-12-4-5-17(14-27)22-25-21(26-31-22)15-6-9-18(24)10-7-15/h6-11,13,17H,3-5,12,14H2,1-2H3/t17-/m1/s1
InChIKeyOKWPDAFQVAXGJL-QGZVFWFLSA-N
XLogP4.82
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456302
[(3R)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456451
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456452
(4-fluoro-3-methoxyphenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 15947877
N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835620
[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3226114
1-[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 812534
(2,6-difluorophenyl)-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226083
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3225906
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 42764576
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1454031
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone (CID 52521512) is [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC.
What is the InChIKey of [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
The InChIKey is OKWPDAFQVAXGJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-3-30-19-11-8-16(13-20(19)29-2)23(28)27-12-4-5-17(14-27)22-25-21(26-31-22)15-6-9-18(24)10-7-15/h6-11,13,17H,3-5,12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone?
[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone has a molecular weight of 441.92 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 52521512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).