4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine

C17H30N4O2 — CID 94412485

IUPAC4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
SMILESCC(C)c1noc([C@H](C)N2CCC(CN3CCOCC3)CC2)n1
InChIInChI=1S/C17H30N4O2/c1-13(2)16-18-17(23-19-16)14(3)21-6-4-15(5-7-21)12-20-8-10-22-11-9-20/h13-15H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyUCJULLUZBSBEKY-AWEZNQCLSA-N
MW322.45 g/mol
LogP2.30
Rot. Bonds5

About 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine

4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine (PubChem CID 94412485) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
PubChem CID94412485
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
SMILESCC(C)c1noc([C@H](C)N2CCC(CN3CCOCC3)CC2)n1
InChIInChI=1S/C17H30N4O2/c1-13(2)16-18-17(23-19-16)14(3)21-6-4-15(5-7-21)12-20-8-10-22-11-9-20/h13-15H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyUCJULLUZBSBEKY-AWEZNQCLSA-N
XLogP2.30
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine 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-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine (CID 94412485) is 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine is CC(C)c1noc([C@H](C)N2CCC(CN3CCOCC3)CC2)n1.
What is the InChIKey of 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is UCJULLUZBSBEKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13(2)16-18-17(23-19-16)14(3)21-6-4-15(5-7-21)12-20-8-10-22-11-9-20/h13-15H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 322.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 94412485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).