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

C22H22FN3O4 — CID 121069346

IUPAC(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)cc1OC
InChIInChI=1S/C22H22FN3O4/c1-28-18-10-7-15(12-19(18)29-2)22(27)26-11-3-4-16(13-26)21-25-24-20(30-21)14-5-8-17(23)9-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3
InChIKeyWKEPUFHPIPHVPQ-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.91
Rot. Bonds5

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

(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 121069346) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID121069346
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)cc1OC
InChIInChI=1S/C22H22FN3O4/c1-28-18-10-7-15(12-19(18)29-2)22(27)26-11-3-4-16(13-26)21-25-24-20(30-21)14-5-8-17(23)9-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3
InChIKeyWKEPUFHPIPHVPQ-UHFFFAOYSA-N
XLogP3.91
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
(4-ethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069342
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121069343
(3,4-dimethoxyphenyl)-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137765
[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3226114
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
(4-fluoro-3-methoxyphenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 15947877
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 121069346) is (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is WKEPUFHPIPHVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-28-18-10-7-15(12-19(18)29-2)22(27)26-11-3-4-16(13-26)21-25-24-20(30-21)14-5-8-17(23)9-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 411.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 121069346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).