[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate

C23H31N3O5 — CID 87135051

IUPAC[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate
SMILESCC(=O)ON1C(=O)CC(CC(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)CC1=O
InChIInChI=1S/C23H31N3O5/c1-16(27)31-26-21(29)14-17(15-22(26)30)13-20(28)25-11-9-24(10-12-25)19-8-6-5-7-18(19)23(2,3)4/h5-8,17H,9-15H2,1-4H3
InChIKeyQJVBESOACJSSCW-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.27
Rot. Bonds4

About [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate

[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate (PubChem CID 87135051) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate
PubChem CID87135051
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate
SMILESCC(=O)ON1C(=O)CC(CC(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)CC1=O
InChIInChI=1S/C23H31N3O5/c1-16(27)31-26-21(29)14-17(15-22(26)30)13-20(28)25-11-9-24(10-12-25)19-8-6-5-7-18(19)23(2,3)4/h5-8,17H,9-15H2,1-4H3
InChIKeyQJVBESOACJSSCW-UHFFFAOYSA-N
XLogP2.27
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl]acetate
CID 66792847
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 91049311
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
CID 46931248
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788
3-[4-(2-tert-butylphenyl)piperazine-1-carbonyl]adamantane-1-carboxylic acid
CID 66792713
N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
CID 113103888
2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide
CID 91451924
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate?
The IUPAC name of [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate (CID 87135051) is [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate.
What is the SMILES notation for [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate?
The canonical SMILES for [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate is CC(=O)ON1C(=O)CC(CC(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)CC1=O.
What is the InChIKey of [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate?
The InChIKey is QJVBESOACJSSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-16(27)31-26-21(29)14-17(15-22(26)30)13-20(28)25-11-9-24(10-12-25)19-8-6-5-7-18(19)23(2,3)4/h5-8,17H,9-15H2,1-4H3.
What are the key properties of [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate?
[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate has a molecular weight of 429.52 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate is sourced from PubChem (CID 87135051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).