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

C17H23ClN4O3 — CID 119563137

IUPAC[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccccc2OCc2noc(C)n2)CC1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-12-19-16(20-24-12)11-23-15-6-4-3-5-14(15)17(22)21-9-7-13(18-2)8-10-21;/h3-6,13,18H,7-11H2,1-2H3;1H
InChIKeyJVBUOFHIOKFPFY-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.20
Rot. Bonds5

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

[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride (PubChem CID 119563137) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
PubChem CID119563137
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccccc2OCc2noc(C)n2)CC1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-12-19-16(20-24-12)11-23-15-6-4-3-5-14(15)17(22)21-9-7-13(18-2)8-10-21;/h3-6,13,18H,7-11H2,1-2H3;1H
InChIKeyJVBUOFHIOKFPFY-UHFFFAOYSA-N
XLogP2.20
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119492510
(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125135028
4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one
CID 51076217
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31302422
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428154
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31306830
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 120809283
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16594075
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487770
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-(2,2,2-trifluoroethyl)benzamide
CID 51075427

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride (CID 119563137) is [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccccc2OCc2noc(C)n2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride?
The InChIKey is JVBUOFHIOKFPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-12-19-16(20-24-12)11-23-15-6-4-3-5-14(15)17(22)21-9-7-13(18-2)8-10-21;/h3-6,13,18H,7-11H2,1-2H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride is sourced from PubChem (CID 119563137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).