(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C23H25N3O4 — CID 4566274

IUPAC(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCCC1c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C23H25N3O4/c1-15-8-6-9-16(14-15)21-24-22(30-25-21)17-10-4-5-13-26(17)23(27)20-18(28-2)11-7-12-19(20)29-3/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3
InChIKeyRASVQJTUFXEAFT-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.43
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 4566274) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID4566274
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCCC1c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C23H25N3O4/c1-15-8-6-9-16(14-15)21-24-22(30-25-21)17-10-4-5-13-26(17)23(27)20-18(28-2)11-7-12-19(20)29-3/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3
InChIKeyRASVQJTUFXEAFT-UHFFFAOYSA-N
XLogP4.43
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760304
(2S)-N-(4-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7493268
(2,4-dichlorophenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3541234
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3675967
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
(2-bromophenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 42765191
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95116507
(5-chloro-2-fluorophenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53206131
(2-chloro-3-pyridinyl)-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95116517

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 4566274) is (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCCCC1c1nc(-c2cccc(C)c2)no1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is RASVQJTUFXEAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-8-6-9-16(14-15)21-24-22(30-25-21)17-10-4-5-13-26(17)23(27)20-18(28-2)11-7-12-19(20)29-3/h6-9,11-12,14,17H,4-5,10,13H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 407.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 4566274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).