2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone

C25H32N2O — CID 162525952

IUPAC2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
SMILESC[C@]12CC3CC4(C(=O)N5CCC6(CC5)CNC6)CC31[C@](c1ccccc1)(C4)C2
InChIInChI=1S/C25H32N2O/c1-21-11-19-12-23(20(28)27-9-7-22(8-10-27)16-26-17-22)14-24(13-21,25(19,21)15-23)18-5-3-2-4-6-18/h2-6,19,26H,7-17H2,1H3/t19?,21-,23?,24+,25?/m1/s1
InChIKeyIAWAEFWQINEAPB-CWHWPMDLSA-N
MW376.54 g/mol
LogP3.74
Rot. Bonds2

About 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone

2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone (PubChem CID 162525952) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone.

Molecular Properties

Compound Name2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
PubChem CID162525952
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone
SMILESC[C@]12CC3CC4(C(=O)N5CCC6(CC5)CNC6)CC31[C@](c1ccccc1)(C4)C2
InChIInChI=1S/C25H32N2O/c1-21-11-19-12-23(20(28)27-9-7-22(8-10-27)16-26-17-22)14-24(13-21,25(19,21)15-23)18-5-3-2-4-6-18/h2-6,19,26H,7-17H2,1H3/t19?,21-,23?,24+,25?/m1/s1
InChIKeyIAWAEFWQINEAPB-CWHWPMDLSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
The IUPAC name of 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone (CID 162525952) is 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone.
What is the SMILES notation for 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
The canonical SMILES for 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone is C[C@]12CC3CC4(C(=O)N5CCC6(CC5)CNC6)CC31[C@](c1ccccc1)(C4)C2.
What is the InChIKey of 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
The InChIKey is IAWAEFWQINEAPB-CWHWPMDLSA-N. The full InChI is InChI=1S/C25H32N2O/c1-21-11-19-12-23(20(28)27-9-7-22(8-10-27)16-26-17-22)14-24(13-21,25(19,21)15-23)18-5-3-2-4-6-18/h2-6,19,26H,7-17H2,1H3/t19?,21-,23?,24+,25?/m1/s1.
What are the key properties of 2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone?
2,7-diazaspiro[3.5]nonan-7-yl-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone has a molecular weight of 376.54 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-[(3S,5R)-5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl]methanone is sourced from PubChem (CID 162525952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).