1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one

C22H33N3O2 — CID 45170919

About 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one

1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 45170919) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
• PubChem CID: 45170919
• Molecular Formula: C22H33N3O2
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.26
• IUPAC Name: 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
• SMILES: Cc1cccc(CN2CCCC3(CCN(C(=O)CCN4CCCO4)C3)C2)c1
• InChI: InChI=1S/C22H33N3O2/c1-19-5-2-6-20(15-19)16-23-10-3-8-22(17-23)9-13-24(18-22)21(26)7-12-25-11-4-14-27-25/h2,5-6,15H,3-4,7-14,16-18H2,1H3
• InChIKey: PGJKTKIKHRPULW-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 36.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?

The IUPAC name of 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one (CID 45170919) is 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one.

What is the SMILES notation for 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?

The canonical SMILES for 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one is Cc1cccc(CN2CCCC3(CCN(C(=O)CCN4CCCO4)C3)C2)c1.

What is the InChIKey of 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?

The InChIKey is PGJKTKIKHRPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-19-5-2-6-20(15-19)16-23-10-3-8-22(17-23)9-13-24(18-22)21(26)7-12-25-11-4-14-27-25/h2,5-6,15H,3-4,7-14,16-18H2,1H3.

What are the key properties of 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?

1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 371.53 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 45170919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).