[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

C17H22N4O3 — CID 119492510

IUPAC[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccccc2OCc2noc(C)n2)C1
InChIInChI=1S/C17H22N4O3/c1-12-19-16(20-24-12)11-23-15-8-4-3-7-14(15)17(22)21-9-5-6-13(10-21)18-2/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3
InChIKeyWTTJIMLGIOLQJP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.78
Rot. Bonds5

About [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (PubChem CID 119492510) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
PubChem CID119492510
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccccc2OCc2noc(C)n2)C1
InChIInChI=1S/C17H22N4O3/c1-12-19-16(20-24-12)11-23-15-8-4-3-7-14(15)17(22)21-9-5-6-13(10-21)18-2/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3
InChIKeyWTTJIMLGIOLQJP-UHFFFAOYSA-N
XLogP1.78
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
CID 119563137
(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125135028
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487770
[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489592
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 120809283
4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one
CID 51076217
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428154
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31302422
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31306830
N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46531672
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 16598110
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (CID 119492510) is [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is CNC1CCCN(C(=O)c2ccccc2OCc2noc(C)n2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The InChIKey is WTTJIMLGIOLQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-19-16(20-24-12)11-23-15-8-4-3-7-14(15)17(22)21-9-5-6-13(10-21)18-2/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 119492510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).