[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C15H27N5O2 — CID 120753028

IUPAC[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCC(OCCN3CCCC3)CC2)no1
InChIInChI=1S/C15H27N5O2/c16-11-15-17-14(18-22-15)12-20-7-3-13(4-8-20)21-10-9-19-5-1-2-6-19/h13H,1-12,16H2
InChIKeySDCBUWGDMNCYGC-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.61
Rot. Bonds7

About [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120753028) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120753028
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCC(OCCN3CCCC3)CC2)no1
InChIInChI=1S/C15H27N5O2/c16-11-15-17-14(18-22-15)12-20-7-3-13(4-8-20)21-10-9-19-5-1-2-6-19/h13H,1-12,16H2
InChIKeySDCBUWGDMNCYGC-UHFFFAOYSA-N
XLogP0.61
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine
CID 79735006
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752666
[3-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752744
[3-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752530
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 120752659
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
[3-[[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752157
[3-[[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752753

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120753028) is [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CN2CCC(OCCN3CCCC3)CC2)no1.
What is the InChIKey of [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is SDCBUWGDMNCYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c16-11-15-17-14(18-22-15)12-20-7-3-13(4-8-20)21-10-9-19-5-1-2-6-19/h13H,1-12,16H2.
What are the key properties of [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 309.41 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120753028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).