1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone

C25H32N2O — CID 42594463

About 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone

1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone (PubChem CID 42594463) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
• PubChem CID: 42594463
• Molecular Formula: C25H32N2O
• Molecular Weight: 376.54 g/mol
• Exact Mass: 376.25
• IUPAC Name: 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
• SMILES: CC(=O)c1cccc(CN2CC[C@@]3(CCCN(Cc4cccc(C)c4)C3)C2)c1
• InChI: InChI=1S/C25H32N2O/c1-20-6-3-7-22(14-20)16-26-12-5-10-25(18-26)11-13-27(19-25)17-23-8-4-9-24(15-23)21(2)28/h3-4,6-9,14-15H,5,10-13,16-19H2,1-2H3/t25-/m1/s1
• InChIKey: YHVLAWWYNOCQEZ-RUZDIDTESA-N
• XLogP: 4.69
• TPSA: 23.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.54
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone (CID 42594463) is 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone.

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

The canonical SMILES for 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone is CC(=O)c1cccc(CN2CC[C@@]3(CCCN(Cc4cccc(C)c4)C3)C2)c1.

What is the InChIKey of 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone?

The InChIKey is YHVLAWWYNOCQEZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32N2O/c1-20-6-3-7-22(14-20)16-26-12-5-10-25(18-26)11-13-27(19-25)17-23-8-4-9-24(15-23)21(2)28/h3-4,6-9,14-15H,5,10-13,16-19H2,1-2H3/t25-/m1/s1.

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

1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone has a molecular weight of 376.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 42594463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).