6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one

C22H23N3O4 — CID 58467381

IUPAC6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
SMILESO=C1Cc2ccc(NCC(=O)N3CCN(c4ccc5c(c4)CCO5)CC3)cc2O1
InChIInChI=1S/C22H23N3O4/c26-21(14-23-17-2-1-15-12-22(27)29-20(15)13-17)25-8-6-24(7-9-25)18-3-4-19-16(11-18)5-10-28-19/h1-4,11,13,23H,5-10,12,14H2
InChIKeyWGHYFSLYMMPZPU-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.84
Rot. Bonds4

About 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one

6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one (PubChem CID 58467381) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
PubChem CID58467381
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
SMILESO=C1Cc2ccc(NCC(=O)N3CCN(c4ccc5c(c4)CCO5)CC3)cc2O1
InChIInChI=1S/C22H23N3O4/c26-21(14-23-17-2-1-15-12-22(27)29-20(15)13-17)25-8-6-24(7-9-25)18-3-4-19-16(11-18)5-10-28-19/h1-4,11,13,23H,5-10,12,14H2
InChIKeyWGHYFSLYMMPZPU-UHFFFAOYSA-N
XLogP1.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467685
6-[[2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467560
6-[[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1,3-benzoxazol-2-one
CID 143766650
6-[[2-[(2R)-4-(2,3-dihydro-1H-inden-5-yl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467737
2-[(2R)-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467550
2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350655
6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467380
4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetyl]piperazine-1-carbaldehyde
CID 108996028
2-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350844
6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467626
6-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-3-oxopropoxy]-3H-1-benzofuran-2-one
CID 58329010
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110774399

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one?
The IUPAC name of 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one (CID 58467381) is 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one.
What is the SMILES notation for 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one?
The canonical SMILES for 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one is O=C1Cc2ccc(NCC(=O)N3CCN(c4ccc5c(c4)CCO5)CC3)cc2O1.
What is the InChIKey of 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one?
The InChIKey is WGHYFSLYMMPZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(14-23-17-2-1-15-12-22(27)29-20(15)13-17)25-8-6-24(7-9-25)18-3-4-19-16(11-18)5-10-28-19/h1-4,11,13,23H,5-10,12,14H2.
What are the key properties of 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one?
6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one has a molecular weight of 393.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one is sourced from PubChem (CID 58467381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).