5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one

C24H28N2O2 — CID 129053793

IUPAC5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESO=C1N(c2ccccc2)CC(C2CCN(Cc3ccccc3)CC2)OC12CC2
InChIInChI=1S/C24H28N2O2/c27-23-24(13-14-24)28-22(18-26(23)21-9-5-2-6-10-21)20-11-15-25(16-12-20)17-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
InChIKeyZTQMBKOMYWAVCQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.86
Rot. Bonds4

About 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one

5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one (PubChem CID 129053793) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one
PubChem CID129053793
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESO=C1N(c2ccccc2)CC(C2CCN(Cc3ccccc3)CC2)OC12CC2
InChIInChI=1S/C24H28N2O2/c27-23-24(13-14-24)28-22(18-26(23)21-9-5-2-6-10-21)20-11-15-25(16-12-20)17-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
InChIKeyZTQMBKOMYWAVCQ-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one (CID 129053793) is 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one is O=C1N(c2ccccc2)CC(C2CCN(Cc3ccccc3)CC2)OC12CC2.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one?
The InChIKey is ZTQMBKOMYWAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23-24(13-14-24)28-22(18-26(23)21-9-5-2-6-10-21)20-11-15-25(16-12-20)17-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2.
What are the key properties of 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one?
5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one has a molecular weight of 376.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-4-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 129053793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).