3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione

C16H17N3O3 — CID 2983995

IUPAC3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1
InChIInChI=1S/C16H17N3O3/c20-14-9-12(15(21)18-14)19-7-5-10(6-8-19)16-17-11-3-1-2-4-13(11)22-16/h1-4,10,12H,5-9H2,(H,18,20,21)
InChIKeyVHUKMDNJWNRRMF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.42
Rot. Bonds2

About 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione

3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2983995) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID2983995
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1
InChIInChI=1S/C16H17N3O3/c20-14-9-12(15(21)18-14)19-7-5-10(6-8-19)16-17-11-3-1-2-4-13(11)22-16/h1-4,10,12H,5-9H2,(H,18,20,21)
InChIKeyVHUKMDNJWNRRMF-UHFFFAOYSA-N
XLogP1.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 2983995) is 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1.
What is the InChIKey of 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is VHUKMDNJWNRRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14-9-12(15(21)18-14)19-7-5-10(6-8-19)16-17-11-3-1-2-4-13(11)22-16/h1-4,10,12H,5-9H2,(H,18,20,21).
What are the key properties of 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 299.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2983995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).