3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole

C16H21N3O2 — CID 135088494

IUPAC3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1cccc(C2CCCCN2Cc2nonc2C)c1
InChIInChI=1S/C16H21N3O2/c1-12-15(18-21-17-12)11-19-9-4-3-8-16(19)13-6-5-7-14(10-13)20-2/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyOHCDZPKCPYWUBS-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.11
Rot. Bonds4

About 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole

3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 135088494) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID135088494
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1cccc(C2CCCCN2Cc2nonc2C)c1
InChIInChI=1S/C16H21N3O2/c1-12-15(18-21-17-12)11-19-9-4-3-8-16(19)13-6-5-7-14(10-13)20-2/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyOHCDZPKCPYWUBS-UHFFFAOYSA-N
XLogP3.11
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Difluoromethoxy)phenyl]-3-[(4-methylpiperidin-1-yl)methyl]-2-oxido-1,2,5-oxadiazol-2-ium
CID 134524133
3-[4-(Difluoromethoxy)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]-2-oxido-1,2,5-oxadiazol-2-ium
CID 134524187
4-(4-Methoxyphenyl)-3-[(4-methylpiperidin-1-yl)methyl]-2-oxido-1,2,5-oxadiazol-2-ium
CID 134524333
3-(4-Methoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]-2-oxido-1,2,5-oxadiazol-2-ium
CID 142354518
6-Methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 129620671
(1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
CID 164632386
4-[(4-Methylpiperidin-1-yl)methyl]-2-oxido-3-[4-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-2-ium
CID 134524144
3-[(4-Methylpiperidin-1-yl)methyl]-2-oxido-4-[4-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-2-ium
CID 134524323
4-[(4-Methylpiperidin-1-yl)methyl]-2-oxido-3-[3-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-2-ium
CID 146591531
4-(Azepan-1-ylmethyl)-2-oxido-3-[3-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-2-ium
CID 146591559
3-methyl-4-[[6-[3-(trifluoromethoxy)phenyl]-2H-quinazolin-3-yl]methyl]-1,2,5-oxadiazole
CID 151607125
3-[(4-Methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole
CID 153437908

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (CID 135088494) is 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is COc1cccc(C2CCCCN2Cc2nonc2C)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is OHCDZPKCPYWUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-15(18-21-17-12)11-19-9-4-3-8-16(19)13-6-5-7-14(10-13)20-2/h5-7,10,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 135088494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).