7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

C23H31N3O — CID 24758752

IUPAC7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C23CC4CC(CC(C4)C2)C3)CCC12CCCN2Cc1ccccn1
InChIInChI=1S/C23H31N3O/c27-21-23(5-3-8-25(23)16-20-4-1-2-7-24-20)6-9-26(21)22-13-17-10-18(14-22)12-19(11-17)15-22/h1-2,4,7,17-19H,3,5-6,8-16H2
InChIKeyIWDKYDQMMLSTRD-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.62
Rot. Bonds3

About 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24758752) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24758752
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C23CC4CC(CC(C4)C2)C3)CCC12CCCN2Cc1ccccn1
InChIInChI=1S/C23H31N3O/c27-21-23(5-3-8-25(23)16-20-4-1-2-7-24-20)6-9-26(21)22-13-17-10-18(14-22)12-19(11-17)15-22/h1-2,4,7,17-19H,3,5-6,8-16H2
InChIKeyIWDKYDQMMLSTRD-UHFFFAOYSA-N
XLogP3.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-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 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one (CID 24758752) is 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C23CC4CC(CC(C4)C2)C3)CCC12CCCN2Cc1ccccn1.
What is the InChIKey of 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is IWDKYDQMMLSTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c27-21-23(5-3-8-25(23)16-20-4-1-2-7-24-20)6-9-26(21)22-13-17-10-18(14-22)12-19(11-17)15-22/h1-2,4,7,17-19H,3,5-6,8-16H2.
What are the key properties of 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 365.52 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-adamantyl)-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24758752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).