1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C22H30N2O2 — CID 46967218

About 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 46967218) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
• PubChem CID: 46967218
• Molecular Formula: C22H30N2O2
• Molecular Weight: 354.49 g/mol
• Exact Mass: 354.23
• IUPAC Name: 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
• SMILES: Cc1ccc2oc(CN3CCCCC3CCN3CCCC3=O)c(C)c2c1
• InChI: InChI=1S/C22H30N2O2/c1-16-8-9-20-19(14-16)17(2)21(26-20)15-24-11-4-3-6-18(24)10-13-23-12-5-7-22(23)25/h8-9,14,18H,3-7,10-13,15H2,1-2H3
• InChIKey: FNBJKTJILGRJSS-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 36.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.49
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 46967218) is 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1ccc2oc(CN3CCCCC3CCN3CCCC3=O)c(C)c2c1.

What is the InChIKey of 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

The InChIKey is FNBJKTJILGRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-8-9-20-19(14-16)17(2)21(26-20)15-24-11-4-3-6-18(24)10-13-23-12-5-7-22(23)25/h8-9,14,18H,3-7,10-13,15H2,1-2H3.

What are the key properties of 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 354.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 46967218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).