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

C15H28N4O — CID 106960422

IUPAC2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCC1CCN(c2nnc(CNCC(C)C)o2)CC1
InChIInChI=1S/C15H28N4O/c1-4-5-13-6-8-19(9-7-13)15-18-17-14(20-15)11-16-10-12(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyAEJMWMVINWKWGY-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.83
Rot. Bonds7

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

2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 106960422) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID106960422
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCC1CCN(c2nnc(CNCC(C)C)o2)CC1
InChIInChI=1S/C15H28N4O/c1-4-5-13-6-8-19(9-7-13)15-18-17-14(20-15)11-16-10-12(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyAEJMWMVINWKWGY-UHFFFAOYSA-N
XLogP2.83
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106960424
N-[[5-(3-ethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106964439
2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961278
N-[[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106965328
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106961110
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
[1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968380
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
CID 106967389
2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106959981
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106962939
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106967346
N-[[5-(4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106967471

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 106960422) is 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCC1CCN(c2nnc(CNCC(C)C)o2)CC1.
What is the InChIKey of 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is AEJMWMVINWKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-5-13-6-8-19(9-7-13)15-18-17-14(20-15)11-16-10-12(2)3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106960422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).