3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione

C16H20N2O4 — CID 166471884

IUPAC3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione
SMILESO=C1CCC(Oc2ccc(C[C@H]3COCCN3)cc2)C(=O)N1
InChIInChI=1S/C16H20N2O4/c19-15-6-5-14(16(20)18-15)22-13-3-1-11(2-4-13)9-12-10-21-8-7-17-12/h1-4,12,14,17H,5-10H2,(H,18,19,20)/t12-,14?/m0/s1
InChIKeyLQZQFAJXCSHRDG-NBFOIZRFSA-N
MW304.35 g/mol
LogP0.40
Rot. Bonds4

About 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione

3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione (PubChem CID 166471884) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione
PubChem CID166471884
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione
SMILESO=C1CCC(Oc2ccc(C[C@H]3COCCN3)cc2)C(=O)N1
InChIInChI=1S/C16H20N2O4/c19-15-6-5-14(16(20)18-15)22-13-3-1-11(2-4-13)9-12-10-21-8-7-17-12/h1-4,12,14,17H,5-10H2,(H,18,19,20)/t12-,14?/m0/s1
InChIKeyLQZQFAJXCSHRDG-NBFOIZRFSA-N
XLogP0.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione (CID 166471884) is 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione is O=C1CCC(Oc2ccc(C[C@H]3COCCN3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione?
The InChIKey is LQZQFAJXCSHRDG-NBFOIZRFSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15-6-5-14(16(20)18-15)22-13-3-1-11(2-4-13)9-12-10-21-8-7-17-12/h1-4,12,14,17H,5-10H2,(H,18,19,20)/t12-,14?/m0/s1.
What are the key properties of 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione?
3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione has a molecular weight of 304.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione is sourced from PubChem (CID 166471884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).