2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone

C24H32N2O — CID 163701318

IUPAC2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone
SMILESCC12CC3CC(c4ccccc4)(C1)CC2(C(=O)N1CCC2(CC1)CNC2)C3
InChIInChI=1S/C24H32N2O/c1-21-11-18-12-23(14-21,19-5-3-2-4-6-19)15-24(21,13-18)20(27)26-9-7-22(8-10-26)16-25-17-22/h2-6,18,25H,7-17H2,1H3
InChIKeyKBGANNNACDVWJQ-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.74
Rot. Bonds2

About 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone

2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone (PubChem CID 163701318) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone.

Molecular Properties

Compound Name2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone
PubChem CID163701318
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone
SMILESCC12CC3CC(c4ccccc4)(C1)CC2(C(=O)N1CCC2(CC1)CNC2)C3
InChIInChI=1S/C24H32N2O/c1-21-11-18-12-23(14-21,19-5-3-2-4-6-19)15-24(21,13-18)20(27)26-9-7-22(8-10-26)16-25-17-22/h2-6,18,25H,7-17H2,1H3
InChIKeyKBGANNNACDVWJQ-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone?
The IUPAC name of 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone (CID 163701318) is 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone.
What is the SMILES notation for 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone?
The canonical SMILES for 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone is CC12CC3CC(c4ccccc4)(C1)CC2(C(=O)N1CCC2(CC1)CNC2)C3.
What is the InChIKey of 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone?
The InChIKey is KBGANNNACDVWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-21-11-18-12-23(14-21,19-5-3-2-4-6-19)15-24(21,13-18)20(27)26-9-7-22(8-10-26)16-25-17-22/h2-6,18,25H,7-17H2,1H3.
What are the key properties of 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone?
2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone has a molecular weight of 364.53 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[3.5]nonan-7-yl-(7-methyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanone is sourced from PubChem (CID 163701318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).