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

C13H24N4O — CID 115081288

IUPACN-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(C2CCN(C(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-10(2)17-8-5-11(6-9-17)13-15-12(18-16-13)4-7-14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyCYIMFVGECVPRTB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.42
Rot. Bonds5

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

N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081288) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081288
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(C2CCN(C(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-10(2)17-8-5-11(6-9-17)13-15-12(18-16-13)4-7-14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyCYIMFVGECVPRTB-UHFFFAOYSA-N
XLogP1.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079897
N-methyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112680517
2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080195
N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081354
N-methyl-1-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115081078
2-(azepan-1-yl)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 90648888
2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081381
1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 86786883
N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081618
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081288) is N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CNCCc1nc(C2CCN(C(C)C)CC2)no1.
What is the InChIKey of N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is CYIMFVGECVPRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-8-5-11(6-9-17)13-15-12(18-16-13)4-7-14-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).