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

C21H28N2O2 — CID 46967217

IUPAC1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1c(CN2CCCCC2CCN2CCCC2=O)oc2ccccc12
InChIInChI=1S/C21H28N2O2/c1-16-18-8-2-3-9-19(18)25-20(16)15-23-12-5-4-7-17(23)11-14-22-13-6-10-21(22)24/h2-3,8-9,17H,4-7,10-15H2,1H3
InChIKeyACHBPVJKZQJRLG-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.11
Rot. Bonds5

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

1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 46967217) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID46967217
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1c(CN2CCCCC2CCN2CCCC2=O)oc2ccccc12
InChIInChI=1S/C21H28N2O2/c1-16-18-8-2-3-9-19(18)25-20(16)15-23-12-5-4-7-17(23)11-14-22-13-6-10-21(22)24/h2-3,8-9,17H,4-7,10-15H2,1H3
InChIKeyACHBPVJKZQJRLG-UHFFFAOYSA-N
XLogP4.11
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 46967217) is 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1c(CN2CCCCC2CCN2CCCC2=O)oc2ccccc12.
What is the InChIKey of 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ACHBPVJKZQJRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-18-8-2-3-9-19(18)25-20(16)15-23-12-5-4-7-17(23)11-14-22-13-6-10-21(22)24/h2-3,8-9,17H,4-7,10-15H2,1H3.
What are the key properties of 1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 340.47 g/mol, XLogP of 4.11, 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-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 46967217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).