ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate

C17H19N3O5 — CID 7340067

IUPACethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)NCCN1CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C17H19N3O5/c1-2-25-14(21)9-13-16(23)18-7-8-19(13)10-20-12-6-4-3-5-11(12)15(22)17(20)24/h3-6,13H,2,7-10H2,1H3,(H,18,23)/t13-/m0/s1
InChIKeyYZKQANGSRUZMDW-ZDUSSCGKSA-N
MW345.36 g/mol
LogP-0.07
Rot. Bonds5

About ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate

ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 7340067) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID7340067
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Nameethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)NCCN1CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C17H19N3O5/c1-2-25-14(21)9-13-16(23)18-7-8-19(13)10-20-12-6-4-3-5-11(12)15(22)17(20)24/h3-6,13H,2,7-10H2,1H3,(H,18,23)/t13-/m0/s1
InChIKeyYZKQANGSRUZMDW-ZDUSSCGKSA-N
XLogP-0.07
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
ethyl 2-[1-[(3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2996935
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
ethyl 2-[3-oxo-1-(3-phenylprop-2-enoyl)piperazin-2-yl]acetate
CID 71952358
ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
CID 103484663
ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479019
ethyl 2-[3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 4926836
ethyl 4-[[2-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 8561303
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991
ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
CID 18524131

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate (CID 7340067) is ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate is CCOC(=O)C[C@H]1C(=O)NCCN1CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is YZKQANGSRUZMDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-25-14(21)9-13-16(23)18-7-8-19(13)10-20-12-6-4-3-5-11(12)15(22)17(20)24/h3-6,13H,2,7-10H2,1H3,(H,18,23)/t13-/m0/s1.
What are the key properties of ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate?
ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 345.36 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-[(2,3-dioxoindol-1-yl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 7340067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).