3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C23H26N4O4 — CID 86881664

IUPAC3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cc(C)ccc1OCCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C23H26N4O4/c1-16-6-7-19(20(15-16)29-2)30-14-10-21(28)27-12-8-17(9-13-27)23-25-22(26-31-23)18-5-3-4-11-24-18/h3-7,11,15,17H,8-10,12-14H2,1-2H3
InChIKeyFYZOBHYSBGVWHF-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.62
Rot. Bonds7

About 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 86881664) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID86881664
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cc(C)ccc1OCCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C23H26N4O4/c1-16-6-7-19(20(15-16)29-2)30-14-10-21(28)27-12-8-17(9-13-27)23-25-22(26-31-23)18-5-3-4-11-24-18/h3-7,11,15,17H,8-10,12-14H2,1-2H3
InChIKeyFYZOBHYSBGVWHF-UHFFFAOYSA-N
XLogP3.62
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 146948181
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
2-azido-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24802761
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
2-cyclopentyl-1-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92577668
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-oxobutanoate
CID 42760340
(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 52522453
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
3-(3,4-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 47061048

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 86881664) is 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is COc1cc(C)ccc1OCCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is FYZOBHYSBGVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-16-6-7-19(20(15-16)29-2)30-14-10-21(28)27-12-8-17(9-13-27)23-25-22(26-31-23)18-5-3-4-11-24-18/h3-7,11,15,17H,8-10,12-14H2,1-2H3.
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 422.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86881664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).