4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one

C25H29N3O4 — CID 55416208

IUPAC4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O
InChIInChI=1S/C25H29N3O4/c1-31-23-5-3-2-4-21(23)28-17-20(15-24(28)29)25(30)27-11-9-26(10-12-27)16-18-6-7-22-19(14-18)8-13-32-22/h2-7,14,20H,8-13,15-17H2,1H3
InChIKeyRIXOZUOJKPZCBY-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.33
Rot. Bonds5

About 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one

4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 55416208) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID55416208
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O
InChIInChI=1S/C25H29N3O4/c1-31-23-5-3-2-4-21(23)28-17-20(15-24(28)29)25(30)27-11-9-26(10-12-27)16-18-6-7-22-19(14-18)8-13-32-22/h2-7,14,20H,8-13,15-17H2,1H3
InChIKeyRIXOZUOJKPZCBY-UHFFFAOYSA-N
XLogP2.33
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112790414
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 49070823
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55949576
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151
1-(2-methoxyphenyl)-4-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 134040096
N,N-diethyl-1-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 52796180
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 8968322

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 55416208) is 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O.
What is the InChIKey of 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is RIXOZUOJKPZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-31-23-5-3-2-4-21(23)28-17-20(15-24(28)29)25(30)27-11-9-26(10-12-27)16-18-6-7-22-19(14-18)8-13-32-22/h2-7,14,20H,8-13,15-17H2,1H3.
What are the key properties of 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 435.52 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 55416208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).