3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine

C15H28N4O2 — CID 79735006

IUPAC3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)Cc1nc(CN2CCC(OCCCN)CC2)no1
InChIInChI=1S/C15H28N4O2/c1-12(2)10-15-17-14(18-21-15)11-19-7-4-13(5-8-19)20-9-3-6-16/h12-13H,3-11,16H2,1-2H3
InChIKeySWWSIVBPEJXFSY-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.60
Rot. Bonds8

About 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79735006) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79735006
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)Cc1nc(CN2CCC(OCCCN)CC2)no1
InChIInChI=1S/C15H28N4O2/c1-12(2)10-15-17-14(18-21-15)11-19-7-4-13(5-8-19)20-9-3-6-16/h12-13H,3-11,16H2,1-2H3
InChIKeySWWSIVBPEJXFSY-UHFFFAOYSA-N
XLogP1.60
TPSA77.41 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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79737485
[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120753028
4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
CID 60506197
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
1-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]ethanamine
CID 81491345
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687
[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 115963664
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine (CID 79735006) is 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine is CC(C)Cc1nc(CN2CCC(OCCCN)CC2)no1.
What is the InChIKey of 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is SWWSIVBPEJXFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(2)10-15-17-14(18-21-15)11-19-7-4-13(5-8-19)20-9-3-6-16/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 296.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79735006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).