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

C13H24N4O2 — CID 106960047

IUPACN-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCCOC1CCCN(c2nnc(C(C)NC)o2)C1
InChIInChI=1S/C13H24N4O2/c1-4-8-18-11-6-5-7-17(9-11)13-16-15-12(19-13)10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyOOIQXEVTESQHLT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.75
Rot. Bonds6

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

N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106960047) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106960047
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCCOC1CCCN(c2nnc(C(C)NC)o2)C1
InChIInChI=1S/C13H24N4O2/c1-4-8-18-11-6-5-7-17(9-11)13-16-15-12(19-13)10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyOOIQXEVTESQHLT-UHFFFAOYSA-N
XLogP1.75
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106960042
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64544374
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962236
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112027
N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544373
N-[1-[5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962292
N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62288559
2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62753468
[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol
CID 113377461
N-[1-[5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106964294
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106960047) is N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCCOC1CCCN(c2nnc(C(C)NC)o2)C1.
What is the InChIKey of N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is OOIQXEVTESQHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-8-18-11-6-5-7-17(9-11)13-16-15-12(19-13)10(2)14-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106960047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).