[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone

C22H27N3O2 — CID 97482697

About [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone

[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone (PubChem CID 97482697) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
• PubChem CID: 97482697
• Molecular Formula: C22H27N3O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.21
• IUPAC Name: [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
• SMILES: COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)c1
• InChI: InChI=1S/C22H27N3O2/c1-27-19-7-4-6-18(14-19)15-24-12-5-9-22(16-24)10-13-25(17-22)21(26)20-8-2-3-11-23-20/h2-4,6-8,11,14H,5,9-10,12-13,15-17H2,1H3/t22-/m0/s1
• InChIKey: IMCFYVIVQKZEHD-QFIPXVFZSA-N
• XLogP: 3.22
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?

The IUPAC name of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone (CID 97482697) is [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone.

What is the SMILES notation for [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?

The canonical SMILES for [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone is COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)c1.

What is the InChIKey of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?

The InChIKey is IMCFYVIVQKZEHD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-19-7-4-6-18(14-19)15-24-12-5-9-22(16-24)10-13-25(17-22)21(26)20-8-2-3-11-23-20/h2-4,6-8,11,14H,5,9-10,12-13,15-17H2,1H3/t22-/m0/s1.

What are the key properties of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone?

[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97482697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).