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

C14H26N4O2 — CID 115963664

IUPAC[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2nc(CC(C)C)no2)C(CN)C1
InChIInChI=1S/C14H26N4O2/c1-10(2)6-13-16-14(20-17-13)9-18-5-4-12(19-3)7-11(18)8-15/h10-12H,4-9,15H2,1-3H3
InChIKeyMQCASBNOPGCITL-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.21
Rot. Bonds6

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

[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine (PubChem CID 115963664) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine
PubChem CID115963664
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2nc(CC(C)C)no2)C(CN)C1
InChIInChI=1S/C14H26N4O2/c1-10(2)6-13-16-14(20-17-13)9-18-5-4-12(19-3)7-11(18)8-15/h10-12H,4-9,15H2,1-3H3
InChIKeyMQCASBNOPGCITL-UHFFFAOYSA-N
XLogP1.21
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine (CID 115963664) is [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine is COC1CCN(Cc2nc(CC(C)C)no2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine?
The InChIKey is MQCASBNOPGCITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)6-13-16-14(20-17-13)9-18-5-4-12(19-3)7-11(18)8-15/h10-12H,4-9,15H2,1-3H3.
What are the key properties of [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115963664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).