tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide

C70H118K3N14O12S2-3 — CID 161054297

IUPACtripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide
SMILES[CH2-]C(=O)NCCCC(=O)CC.[CH2-]C(=O)NCCN1C(=O)C=CC1=O.[CH2-]C(=O)NCCSSc1ccccn1.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[K+].[K+].[K+]
InChIInChI=1S/3C15H28N3O2.C9H11N2OS2.C8H9N2O3.C8H14NO2.3K/c3*1-4-9-16-14(19)8-10-17-15(20)11-18-12(2)6-5-7-13(18)3;1-8(12)10-6-7-13-14-9-4-2-3-5-11-9;1-6(11)9-4-5-10-7(12)2-3-8(10)13;1-3-8(11)5-4-6-9-7(2)10;;;/h3*12-13H,1,4-11H2,2-3H3,(H,16,19)(H,17,20);2-5H,1,6-7H2,(H,10,12);2-3H,1,4-5H2,(H,9,11);2-6H2,1H3,(H,9,10);;;/q6*-1;3*+1
InChIKeyDQCBGINMFZQYMN-UHFFFAOYSA-N
MW1529.23 g/mol
LogP-4.37
Rot. Bonds34

About tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide

tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide (PubChem CID 161054297) has the molecular formula C70H118K3N14O12S2-3 and a molecular weight of 1529.23 g/mol. Its IUPAC name is tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide.

Molecular Properties

Compound Nametripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide
PubChem CID161054297
Molecular FormulaC70H118K3N14O12S2-3
Molecular Weight1529.23 g/mol
Exact Mass1527.74
IUPAC Nametripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide
SMILES[CH2-]C(=O)NCCCC(=O)CC.[CH2-]C(=O)NCCN1C(=O)C=CC1=O.[CH2-]C(=O)NCCSSc1ccccn1.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[K+].[K+].[K+]
InChIInChI=1S/3C15H28N3O2.C9H11N2OS2.C8H9N2O3.C8H14NO2.3K/c3*1-4-9-16-14(19)8-10-17-15(20)11-18-12(2)6-5-7-13(18)3;1-8(12)10-6-7-13-14-9-4-2-3-5-11-9;1-6(11)9-4-5-10-7(12)2-3-8(10)13;1-3-8(11)5-4-6-9-7(2)10;;;/h3*12-13H,1,4-11H2,2-3H3,(H,16,19)(H,17,20);2-5H,1,6-7H2,(H,10,12);2-3H,1,4-5H2,(H,9,11);2-6H2,1H3,(H,9,10);;;/q6*-1;3*+1
InChIKeyDQCBGINMFZQYMN-UHFFFAOYSA-N
XLogP-4.37
TPSA338.96 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.23
LogP ≤ 5-4.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide?
The IUPAC name of tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide (CID 161054297) is tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide.
What is the SMILES notation for tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide?
The canonical SMILES for tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide is [CH2-]C(=O)NCCCC(=O)CC.[CH2-]C(=O)NCCN1C(=O)C=CC1=O.[CH2-]C(=O)NCCSSc1ccccn1.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[CH2-]CCNC(=O)CCNC(=O)CN1C(C)CCCC1C.[K+].[K+].[K+].
What is the InChIKey of tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide?
The InChIKey is DQCBGINMFZQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H28N3O2.C9H11N2OS2.C8H9N2O3.C8H14NO2.3K/c3*1-4-9-16-14(19)8-10-17-15(20)11-18-12(2)6-5-7-13(18)3;1-8(12)10-6-7-13-14-9-4-2-3-5-11-9;1-6(11)9-4-5-10-7(12)2-3-8(10)13;1-3-8(11)5-4-6-9-7(2)10;;;/h3*12-13H,1,4-11H2,2-3H3,(H,16,19)(H,17,20);2-5H,1,6-7H2,(H,10,12);2-3H,1,4-5H2,(H,9,11);2-6H2,1H3,(H,9,10);;;/q6*-1;3*+1.
What are the key properties of tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide?
tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide has a molecular weight of 1529.23 g/mol, XLogP of -4.37, 34 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;tris(3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-propylpropanamide);N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;N-(4-oxohexyl)acetamide;N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide is sourced from PubChem (CID 161054297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).