ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate

C17H26N2O5 — CID 52944815

IUPACethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
SMILESCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCCCC1=O
InChIInChI=1S/C17H26N2O5/c1-2-24-17(23)13(18-11-6-4-8-14(18)20)7-3-5-12-19-15(21)9-10-16(19)22/h13H,2-12H2,1H3
InChIKeySUCIDCQYROGHAJ-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.25
Rot. Bonds8

About ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate

ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate (PubChem CID 52944815) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
PubChem CID52944815
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nameethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
SMILESCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCCCC1=O
InChIInChI=1S/C17H26N2O5/c1-2-24-17(23)13(18-11-6-4-8-14(18)20)7-3-5-12-19-15(21)9-10-16(19)22/h13H,2-12H2,1H3
InChIKeySUCIDCQYROGHAJ-UHFFFAOYSA-N
XLogP1.25
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate with MolForge

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Related Compounds

Undecyl-6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 50899262
Hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 50899263
Hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 50899264
Octyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52942613
Decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52942907
Ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52944863
Octyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 52946088
Decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 52946115
Nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52946228
Undecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52946316
Nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 52947359
Dodecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52947517

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate (CID 52944815) is ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate is CCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCCCC1=O.
What is the InChIKey of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
The InChIKey is SUCIDCQYROGHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-2-24-17(23)13(18-11-6-4-8-14(18)20)7-3-5-12-19-15(21)9-10-16(19)22/h13H,2-12H2,1H3.
What are the key properties of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate has a molecular weight of 338.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate is sourced from PubChem (CID 52944815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).