2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one

C28H32N2O2 — CID 4267359

IUPAC2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C1N(N2C(=O)C3(CCCCC3)C2c2ccccc2)C(c2ccccc2)C12CCCCC2
InChIInChI=1S/C28H32N2O2/c31-25-27(17-9-3-10-18-27)23(21-13-5-1-6-14-21)29(25)30-24(22-15-7-2-8-16-22)28(26(30)32)19-11-4-12-20-28/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2
InChIKeyWRNWFFYJWXGPTL-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.97
Rot. Bonds3

About 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one

2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 4267359) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID4267359
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C1N(N2C(=O)C3(CCCCC3)C2c2ccccc2)C(c2ccccc2)C12CCCCC2
InChIInChI=1S/C28H32N2O2/c31-25-27(17-9-3-10-18-27)23(21-13-5-1-6-14-21)29(25)30-24(22-15-7-2-8-16-22)28(26(30)32)19-11-4-12-20-28/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2
InChIKeyWRNWFFYJWXGPTL-UHFFFAOYSA-N
XLogP5.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one (CID 4267359) is 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one is O=C1N(N2C(=O)C3(CCCCC3)C2c2ccccc2)C(c2ccccc2)C12CCCCC2.
What is the InChIKey of 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is WRNWFFYJWXGPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-25-27(17-9-3-10-18-27)23(21-13-5-1-6-14-21)29(25)30-24(22-15-7-2-8-16-22)28(26(30)32)19-11-4-12-20-28/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2.
What are the key properties of 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one?
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 428.58 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 4267359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).