[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

C21H31N3O2 — CID 97482755

About [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97482755) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 97482755
• Molecular Formula: C21H31N3O2
• Molecular Weight: 357.50 g/mol
• Exact Mass: 357.24
• IUPAC Name: [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
• SMILES: COc1cccc(CN2CCC[C@]3(CCN(C(=O)N4CCCC4)C3)C2)c1
• InChI: InChI=1S/C21H31N3O2/c1-26-19-7-4-6-18(14-19)15-22-10-5-8-21(16-22)9-13-24(17-21)20(25)23-11-2-3-12-23/h4,6-7,14H,2-3,5,8-13,15-17H2,1H3/t21-/m0/s1
• InChIKey: SXZCZHWMJWKEMZ-NRFANRHFSA-N
• XLogP: 3.20
• TPSA: 36.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.50
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (CID 97482755) is [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is COc1cccc(CN2CCC[C@]3(CCN(C(=O)N4CCCC4)C3)C2)c1.

What is the InChIKey of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is SXZCZHWMJWKEMZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-26-19-7-4-6-18(14-19)15-22-10-5-8-21(16-22)9-13-24(17-21)20(25)23-11-2-3-12-23/h4,6-7,14H,2-3,5,8-13,15-17H2,1H3/t21-/m0/s1.

What are the key properties of [(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?

[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97482755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).