N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C12H22N4O — CID 115079552

IUPACN-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CCN2CCCCC2)n1
InChIInChI=1S/C12H22N4O/c1-13-7-5-11-14-12(17-15-11)6-10-16-8-3-2-4-9-16/h13H,2-10H2,1H3
InChIKeyVHWFZFXDWARJGM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.86
Rot. Bonds6

About N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 115079552) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID115079552
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CCN2CCCCC2)n1
InChIInChI=1S/C12H22N4O/c1-13-7-5-11-14-12(17-15-11)6-10-16-8-3-2-4-9-16/h13H,2-10H2,1H3
InChIKeyVHWFZFXDWARJGM-UHFFFAOYSA-N
XLogP0.86
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081538
2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079506
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
N-methyl-3-[3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081650
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081238
N-methyl-3-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081578
3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione
CID 14748461
2-[5-[(1,1-dioxothiolan-2-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078218
N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851
N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081137
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 115079552) is N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(CCN2CCCCC2)n1.
What is the InChIKey of N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is VHWFZFXDWARJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-13-7-5-11-14-12(17-15-11)6-10-16-8-3-2-4-9-16/h13H,2-10H2,1H3.
What are the key properties of N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 115079552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).