5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one

C22H25N3O3 — CID 110640960

IUPAC5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc4c(c3)CC(=O)N4C)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-23-20-8-5-18(14-17(20)15-21(23)26)24-9-11-25(12-10-24)22(27)13-16-3-6-19(28-2)7-4-16/h3-8,14H,9-13,15H2,1-2H3
InChIKeyPQXLOOQFVGOATP-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.11
Rot. Bonds4

About 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one

5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one (PubChem CID 110640960) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
PubChem CID110640960
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc4c(c3)CC(=O)N4C)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-23-20-8-5-18(14-17(20)15-21(23)26)24-9-11-25(12-10-24)22(27)13-16-3-6-19(28-2)7-4-16/h3-8,14H,9-13,15H2,1-2H3
InChIKeyPQXLOOQFVGOATP-UHFFFAOYSA-N
XLogP2.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 110799888
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768313
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 71706113
2-(4-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2839448
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882
6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 110414460
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110801908
N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289696

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one (CID 110640960) is 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one is COc1ccc(CC(=O)N2CCN(c3ccc4c(c3)CC(=O)N4C)CC2)cc1.
What is the InChIKey of 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one?
The InChIKey is PQXLOOQFVGOATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-23-20-8-5-18(14-17(20)15-21(23)26)24-9-11-25(12-10-24)22(27)13-16-3-6-19(28-2)7-4-16/h3-8,14H,9-13,15H2,1-2H3.
What are the key properties of 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one?
5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 110640960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).