7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one

C23H36N2O — CID 69410859

IUPAC7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C(C2CCCC2)C23CC4CC(CC(C4)C2)C3)CCC12CCCN2
InChIInChI=1S/C23H36N2O/c26-21-23(6-3-8-24-23)7-9-25(21)20(19-4-1-2-5-19)22-13-16-10-17(14-22)12-18(11-16)15-22/h16-20,24H,1-15H2
InChIKeyINFFMSUNPKDLCT-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.12
Rot. Bonds3

About 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one

7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 69410859) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID69410859
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C(C2CCCC2)C23CC4CC(CC(C4)C2)C3)CCC12CCCN2
InChIInChI=1S/C23H36N2O/c26-21-23(6-3-8-24-23)7-9-25(21)20(19-4-1-2-5-19)22-13-16-10-17(14-22)12-18(11-16)15-22/h16-20,24H,1-15H2
InChIKeyINFFMSUNPKDLCT-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 69410859) is 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C(C2CCCC2)C23CC4CC(CC(C4)C2)C3)CCC12CCCN2.
What is the InChIKey of 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is INFFMSUNPKDLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c26-21-23(6-3-8-24-23)7-9-25(21)20(19-4-1-2-5-19)22-13-16-10-17(14-22)12-18(11-16)15-22/h16-20,24H,1-15H2.
What are the key properties of 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one?
7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 356.55 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-adamantyl(cyclopentyl)methyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 69410859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).