methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate

C23H24ClN3O3 — CID 55829396

IUPACmethyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H24ClN3O3/c1-30-23(29)22(17-7-2-4-8-19(17)24)27-12-10-26(11-13-27)15-21(28)18-14-25-20-9-5-3-6-16(18)20/h2-9,14,22,25H,10-13,15H2,1H3
InChIKeyWCXGDWJNZMRQJX-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.54
Rot. Bonds6

About methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate

methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate (PubChem CID 55829396) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate
PubChem CID55829396
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H24ClN3O3/c1-30-23(29)22(17-7-2-4-8-19(17)24)27-12-10-26(11-13-27)15-21(28)18-14-25-20-9-5-3-6-16(18)20/h2-9,14,22,25H,10-13,15H2,1H3
InChIKeyWCXGDWJNZMRQJX-UHFFFAOYSA-N
XLogP3.54
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659763
ethyl 4-[[2-[4-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]acetyl]amino]butanoate
CID 42944113
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
methyl 2-(2-chlorophenyl)-2-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]piperazin-1-yl]acetate
CID 55487876
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659793
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 3641786
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607480
methyl 2-(2-chlorophenyl)-2-[4-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]acetate
CID 55554640
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-1-yl]-N-propylacetamide
CID 8774224

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate (CID 55829396) is methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate is COC(=O)C(c1ccccc1Cl)N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The InChIKey is WCXGDWJNZMRQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-30-23(29)22(17-7-2-4-8-19(17)24)27-12-10-26(11-13-27)15-21(28)18-14-25-20-9-5-3-6-16(18)20/h2-9,14,22,25H,10-13,15H2,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate?
methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate has a molecular weight of 425.92 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 55829396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).