3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione

C23H30N4O4 — CID 172592649

IUPAC3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)oc3cc(C4CCN(CC5CCNCC5)CC4)ccc32)C(=O)N1
InChIInChI=1S/C23H30N4O4/c28-21-4-3-19(22(29)25-21)27-18-2-1-17(13-20(18)31-23(27)30)16-7-11-26(12-8-16)14-15-5-9-24-10-6-15/h1-2,13,15-16,19,24H,3-12,14H2,(H,25,28,29)
InChIKeySZVODEBMMDXXBT-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione

3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione (PubChem CID 172592649) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
PubChem CID172592649
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)oc3cc(C4CCN(CC5CCNCC5)CC4)ccc32)C(=O)N1
InChIInChI=1S/C23H30N4O4/c28-21-4-3-19(22(29)25-21)27-18-2-1-17(13-20(18)31-23(27)30)16-7-11-26(12-8-16)14-15-5-9-24-10-6-15/h1-2,13,15-16,19,24H,3-12,14H2,(H,25,28,29)
InChIKeySZVODEBMMDXXBT-UHFFFAOYSA-N
XLogP1.75
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172589997
3-[3-methyl-2-oxo-5-[1-[[(3S)-pyrrolidin-3-yl]methyl]piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320528
3-[2-oxo-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172591531
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-[3-(oxan-4-yl)-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl]piperidine-2,6-dione
CID 167470969
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one
CID 176571546
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
3-[6-[1-[3-[4-[[5-(difluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpropyl]piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 178017667
2-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172591314
3-[6-[1-[[1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172590689
3-[3-methyl-5-[1-[[4-[2-(methylamino)ethoxy]cyclohexyl]methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166118276

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione (CID 172592649) is 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione is O=C1CCC(n2c(=O)oc3cc(C4CCN(CC5CCNCC5)CC4)ccc32)C(=O)N1.
What is the InChIKey of 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
The InChIKey is SZVODEBMMDXXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c28-21-4-3-19(22(29)25-21)27-18-2-1-17(13-20(18)31-23(27)30)16-7-11-26(12-8-16)14-15-5-9-24-10-6-15/h1-2,13,15-16,19,24H,3-12,14H2,(H,25,28,29).
What are the key properties of 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione?
3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione has a molecular weight of 426.52 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 172592649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).