N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine

C16H22N4O — CID 119919242

IUPACN-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
SMILESCNC1CCCN(CCc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H22N4O/c1-17-14-8-5-10-20(12-14)11-9-15-18-16(19-21-15)13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-12H2,1H3
InChIKeyZBHDHTUVSCWTKF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine

N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine (PubChem CID 119919242) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
PubChem CID119919242
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
SMILESCNC1CCCN(CCc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H22N4O/c1-17-14-8-5-10-20(12-14)11-9-15-18-16(19-21-15)13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-12H2,1H3
InChIKeyZBHDHTUVSCWTKF-UHFFFAOYSA-N
XLogP1.96
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-3-amine
CID 119918150
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
3-[methyl-[1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]amino]propan-1-ol
CID 111448317
5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 8653357
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 119489292
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
N-methyl-1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922630

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine (CID 119919242) is N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine is CNC1CCCN(CCc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The InChIKey is ZBHDHTUVSCWTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-14-8-5-10-20(12-14)11-9-15-18-16(19-21-15)13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-12H2,1H3.
What are the key properties of N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 119919242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).