N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide

C23H28N6O6 — CID 166426453

IUPACN-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H28N6O6/c30-17-7-6-16(21(33)27-17)29-22(34)14-4-3-5-15(20(14)23(29)35)24-8-1-2-9-25-18(31)12-28-11-10-26-19(32)13-28/h3-5,16,24H,1-2,6-13H2,(H,25,31)(H,26,32)(H,27,30,33)
InChIKeyDOJYIBDQGCNTMB-UHFFFAOYSA-N
MW484.51 g/mol
LogP-1.17
Rot. Bonds9

About N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 166426453) has the molecular formula C23H28N6O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID166426453
Molecular FormulaC23H28N6O6
Molecular Weight484.51 g/mol
Exact Mass484.21
IUPAC NameN-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H28N6O6/c30-17-7-6-16(21(33)27-17)29-22(34)14-4-3-5-15(20(14)23(29)35)24-8-1-2-9-25-18(31)12-28-11-10-26-19(32)13-28/h3-5,16,24H,1-2,6-13H2,(H,25,31)(H,26,32)(H,27,30,33)
InChIKeyDOJYIBDQGCNTMB-UHFFFAOYSA-N
XLogP-1.17
TPSA157.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]acetamide
CID 166426463
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 150346621
N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-propan-2-yloxyacetamide
CID 134511290
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
CID 154675498
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
3-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]propoxy]propylcarbamic acid
CID 166772051
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
2-(2,6-dioxopiperidin-3-yl)-4-[4-[(2-oxo-2-piperazin-1-ylethyl)amino]butylamino]isoindole-1,3-dione
CID 175840433
1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-pyridin-4-ylurea
CID 166427163

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 166426453) is N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide is O=C(CN1CCNC(=O)C1)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is DOJYIBDQGCNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O6/c30-17-7-6-16(21(33)27-17)29-22(34)14-4-3-5-15(20(14)23(29)35)24-8-1-2-9-25-18(31)12-28-11-10-26-19(32)13-28/h3-5,16,24H,1-2,6-13H2,(H,25,31)(H,26,32)(H,27,30,33).
What are the key properties of N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 484.51 g/mol, XLogP of -1.17, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 166426453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).