6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione

C18H18BrN3O3S — CID 123409130

IUPAC6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(=O)NC(c2ccsc2)(c2ccc(N3CCOCC3)c(Br)n2)C1
InChIInChI=1S/C18H18BrN3O3S/c19-17-14(22-4-6-25-7-5-22)1-2-15(20-17)18(12-3-8-26-11-12)10-13(23)9-16(24)21-18/h1-3,8,11H,4-7,9-10H2,(H,21,24)
InChIKeyDGZHMUBAFDIIME-UHFFFAOYSA-N
MW436.33 g/mol
LogP2.46
Rot. Bonds3

About 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione

6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione (PubChem CID 123409130) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione.

Molecular Properties

Compound Name6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione
PubChem CID123409130
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC Name6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(=O)NC(c2ccsc2)(c2ccc(N3CCOCC3)c(Br)n2)C1
InChIInChI=1S/C18H18BrN3O3S/c19-17-14(22-4-6-25-7-5-22)1-2-15(20-17)18(12-3-8-26-11-12)10-13(23)9-16(24)21-18/h1-3,8,11H,4-7,9-10H2,(H,21,24)
InChIKeyDGZHMUBAFDIIME-UHFFFAOYSA-N
XLogP2.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The IUPAC name of 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione (CID 123409130) is 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione.
What is the SMILES notation for 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The canonical SMILES for 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione is O=C1CC(=O)NC(c2ccsc2)(c2ccc(N3CCOCC3)c(Br)n2)C1.
What is the InChIKey of 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The InChIKey is DGZHMUBAFDIIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S/c19-17-14(22-4-6-25-7-5-22)1-2-15(20-17)18(12-3-8-26-11-12)10-13(23)9-16(24)21-18/h1-3,8,11H,4-7,9-10H2,(H,21,24).
What are the key properties of 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione?
6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione has a molecular weight of 436.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-5-morpholin-4-yl-2-pyridinyl)-6-thiophen-3-ylpiperidine-2,4-dione is sourced from PubChem (CID 123409130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).