N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine

C15H28N4O2 — CID 106961108

IUPACN-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCC1(CC)CCN(c2nnc(CNCCOC)o2)CC1
InChIInChI=1S/C15H28N4O2/c1-4-15(5-2)6-9-19(10-7-15)14-18-17-13(21-14)12-16-8-11-20-3/h16H,4-12H2,1-3H3
InChIKeyJSRQHEJSBIWMAB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.21
Rot. Bonds8

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

N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 106961108) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID106961108
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCC1(CC)CCN(c2nnc(CNCCOC)o2)CC1
InChIInChI=1S/C15H28N4O2/c1-4-15(5-2)6-9-19(10-7-15)14-18-17-13(21-14)12-16-8-11-20-3/h16H,4-12H2,1-3H3
InChIKeyJSRQHEJSBIWMAB-UHFFFAOYSA-N
XLogP2.21
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106960883
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106961110
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959478
4-methyl-1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]azepan-4-ol
CID 107409289
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
CID 106965710
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106965698
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106963724
[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965906
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 107460427
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine (CID 106961108) is N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine is CCC1(CC)CCN(c2nnc(CNCCOC)o2)CC1.
What is the InChIKey of N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is JSRQHEJSBIWMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-15(5-2)6-9-19(10-7-15)14-18-17-13(21-14)12-16-8-11-20-3/h16H,4-12H2,1-3H3.
What are the key properties of N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 296.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106961108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).