5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one

C20H21N3O3 — CID 110414687

IUPAC5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-17-5-2-14(3-6-17)20(25)23-10-8-22(9-11-23)16-4-7-18-15(12-16)13-19(24)21-18/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyPNVZTGPDHZZPBT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.15
Rot. Bonds3

About 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one

5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 110414687) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
PubChem CID110414687
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-17-5-2-14(3-6-17)20(25)23-10-8-22(9-11-23)16-4-7-18-15(12-16)13-19(24)21-18/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyPNVZTGPDHZZPBT-UHFFFAOYSA-N
XLogP2.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
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

6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 15789043
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
CID 25093752
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6-chloro-1,3-dihydroindol-2-one
CID 57334366
5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809003
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338604
1-[5-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 53109962

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one (CID 110414687) is 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one is COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is PNVZTGPDHZZPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-17-5-2-14(3-6-17)20(25)23-10-8-22(9-11-23)16-4-7-18-15(12-16)13-19(24)21-18/h2-7,12H,8-11,13H2,1H3,(H,21,24).
What are the key properties of 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 110414687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).