4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one

C18H25N3O2 — CID 130377006

IUPAC4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(C2CNC(=O)C2)CC1
InChIInChI=1S/C18H25N3O2/c1-13(15-3-2-14-4-9-23-17(14)10-15)20-5-7-21(8-6-20)16-11-18(22)19-12-16/h2-3,10,13,16H,4-9,11-12H2,1H3,(H,19,22)
InChIKeyCTAAEQSRWMEWBI-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.19
Rot. Bonds3

About 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one

4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one (PubChem CID 130377006) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one
PubChem CID130377006
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(C2CNC(=O)C2)CC1
InChIInChI=1S/C18H25N3O2/c1-13(15-3-2-14-4-9-23-17(14)10-15)20-5-7-21(8-6-20)16-11-18(22)19-12-16/h2-3,10,13,16H,4-9,11-12H2,1H3,(H,19,22)
InChIKeyCTAAEQSRWMEWBI-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one (CID 130377006) is 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one is CC(c1ccc2c(c1)OCC2)N1CCN(C2CNC(=O)C2)CC1.
What is the InChIKey of 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is CTAAEQSRWMEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(15-3-2-14-4-9-23-17(14)10-15)20-5-7-21(8-6-20)16-11-18(22)19-12-16/h2-3,10,13,16H,4-9,11-12H2,1H3,(H,19,22).
What are the key properties of 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one?
4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 130377006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).