(2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate

C17H26N2O5 — CID 59392275

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate
SMILESCC1CCCC(C)N1CC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H26N2O5/c1-12-5-3-6-13(2)18(12)11-14(20)7-4-8-17(23)24-19-15(21)9-10-16(19)22/h12-13H,3-11H2,1-2H3
InChIKeySHVBUEVWDGZXAO-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.60
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate

(2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate (PubChem CID 59392275) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate
PubChem CID59392275
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate
SMILESCC1CCCC(C)N1CC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H26N2O5/c1-12-5-3-6-13(2)18(12)11-14(20)7-4-8-17(23)24-19-15(21)9-10-16(19)22/h12-13H,3-11H2,1-2H3
InChIKeySHVBUEVWDGZXAO-UHFFFAOYSA-N
XLogP1.60
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.60
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

(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino](313C)propanoate
CID 121340841
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino](2,3-13C2)propanoyl(15N)amino](113C)propanoate
CID 86291041
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
2-(2,6-dimethylpiperidin-1-yl)-N-(113C)methylacetamide;(2,5-dioxopyrrolidin-1-yl) acetate;(2,5-dioxopyrrolidin-1-yl) 3-[[2-[2,6-di((113C)methyl)(2,6-13C2,115N)azinan-1-yl]acetyl]amino]propanoate
CID 158005257
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
CID 147058530
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
CID 162785232
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate (CID 59392275) is (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate is CC1CCCC(C)N1CC(=O)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate?
The InChIKey is SHVBUEVWDGZXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-12-5-3-6-13(2)18(12)11-14(20)7-4-8-17(23)24-19-15(21)9-10-16(19)22/h12-13H,3-11H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate has a molecular weight of 338.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate is sourced from PubChem (CID 59392275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).