2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone

C22H21Cl2N3O3 — CID 110659763

IUPAC2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H21Cl2N3O3/c1-30-21-17(24)7-6-16(23)20(21)22(29)27-10-8-26(9-11-27)13-19(28)15-12-25-18-5-3-2-4-14(15)18/h2-7,12,25H,8-11,13H2,1H3
InChIKeyHIMRSWASWSGWMM-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.12
Rot. Bonds5

About 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone

2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (PubChem CID 110659763) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
PubChem CID110659763
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H21Cl2N3O3/c1-30-21-17(24)7-6-16(23)20(21)22(29)27-10-8-26(9-11-27)13-19(28)15-12-25-18-5-3-2-4-14(15)18/h2-7,12,25H,8-11,13H2,1H3
InChIKeyHIMRSWASWSGWMM-UHFFFAOYSA-N
XLogP4.12
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 945225
methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 55829396
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659793
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110397351
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (CID 110659763) is 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is HIMRSWASWSGWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-30-21-17(24)7-6-16(23)20(21)22(29)27-10-8-26(9-11-27)13-19(28)15-12-25-18-5-3-2-4-14(15)18/h2-7,12,25H,8-11,13H2,1H3.
What are the key properties of 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 446.33 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110659763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).