9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C23H27N3O2 — CID 131679704

About 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131679704) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 131679704
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• SMILES: Cc1cccc(CN2CCC3(CCCN(C(=O)c4ccccc4C)C3)C2=O)n1
• InChI: InChI=1S/C23H27N3O2/c1-17-7-3-4-10-20(17)21(27)26-13-6-11-23(16-26)12-14-25(22(23)28)15-19-9-5-8-18(2)24-19/h3-5,7-10H,6,11-16H2,1-2H3
• InChIKey: IEASHEBZBRTBDN-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

The IUPAC name of 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131679704) is 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CCC3(CCCN(C(=O)c4ccccc4C)C3)C2=O)n1.

What is the InChIKey of 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

The InChIKey is IEASHEBZBRTBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-7-3-4-10-20(17)21(27)26-13-6-11-23(16-26)12-14-25(22(23)28)15-19-9-5-8-18(2)24-19/h3-5,7-10H,6,11-16H2,1-2H3.

What are the key properties of 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 377.49 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131679704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).