[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

C23H22ClN3O4 — CID 16603267

IUPAC[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H22ClN3O4/c1-16-19-7-2-3-8-20(19)23(30)27(16)14-22(29)31-15-21(28)26-11-9-25(10-12-26)18-6-4-5-17(24)13-18/h2-8,13H,1,9-12,14-15H2
InChIKeyQYCXDTDMHGJIMN-UHFFFAOYSA-N
MW439.90 g/mol
LogP2.66
Rot. Bonds5

About [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (PubChem CID 16603267) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
PubChem CID16603267
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H22ClN3O4/c1-16-19-7-2-3-8-20(19)23(30)27(16)14-22(29)31-15-21(28)26-11-9-25(10-12-26)18-6-4-5-17(24)13-18/h2-8,13H,1,9-12,14-15H2
InChIKeyQYCXDTDMHGJIMN-UHFFFAOYSA-N
XLogP2.66
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
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[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 3-benzamidobutanoate
CID 55403327
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348298
4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
CID 108875035
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-2-carboxylate
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[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 9018101
6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201858
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 40551967
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886506
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The IUPAC name of [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (CID 16603267) is [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The canonical SMILES for [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The InChIKey is QYCXDTDMHGJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-16-19-7-2-3-8-20(19)23(30)27(16)14-22(29)31-15-21(28)26-11-9-25(10-12-26)18-6-4-5-17(24)13-18/h2-8,13H,1,9-12,14-15H2.
What are the key properties of [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate has a molecular weight of 439.90 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is sourced from PubChem (CID 16603267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).