4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C23H26N2O3 — CID 2925123

IUPAC4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C(C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1
InChIInChI=1S/C23H26N2O3/c26-21(24-11-5-2-6-12-24)18(13-15-7-3-1-4-8-15)25-22(27)19-16-9-10-17(14-16)20(19)23(25)28/h1,3-4,7-10,16-20H,2,5-6,11-14H2
InChIKeyIDCWDQHGUQYPDN-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.42
Rot. Bonds4

About 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2925123) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2925123
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C(C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1
InChIInChI=1S/C23H26N2O3/c26-21(24-11-5-2-6-12-24)18(13-15-7-3-1-4-8-15)25-22(27)19-16-9-10-17(14-16)20(19)23(25)28/h1,3-4,7-10,16-20H,2,5-6,11-14H2
InChIKeyIDCWDQHGUQYPDN-UHFFFAOYSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2925123) is 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C(C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1.
What is the InChIKey of 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is IDCWDQHGUQYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-21(24-11-5-2-6-12-24)18(13-15-7-3-1-4-8-15)25-22(27)19-16-9-10-17(14-16)20(19)23(25)28/h1,3-4,7-10,16-20H,2,5-6,11-14H2.
What are the key properties of 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 378.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2925123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).