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

C24H40N2O5 — CID 52947359

IUPACnonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
SMILESCCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCCCC1=O
InChIInChI=1S/C24H40N2O5/c1-2-3-4-5-6-7-12-19-31-24(30)20(25-17-11-9-14-21(25)27)13-8-10-18-26-22(28)15-16-23(26)29/h20H,2-19H2,1H3
InChIKeyYAKZIWCKUFSITP-UHFFFAOYSA-N
MW436.59 g/mol
LogP3.98
Rot. Bonds15

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

nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate (PubChem CID 52947359) has the molecular formula C24H40N2O5 and a molecular weight of 436.59 g/mol. Its IUPAC name is nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate.

Molecular Properties

Compound Namenonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
PubChem CID52947359
Molecular FormulaC24H40N2O5
Molecular Weight436.59 g/mol
Exact Mass436.29
IUPAC Namenonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
SMILESCCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCCCC1=O
InChIInChI=1S/C24H40N2O5/c1-2-3-4-5-6-7-12-19-31-24(30)20(25-17-11-9-14-21(25)27)13-8-10-18-26-22(28)15-16-23(26)29/h20H,2-19H2,1H3
InChIKeyYAKZIWCKUFSITP-UHFFFAOYSA-N
XLogP3.98
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 53.98
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'}

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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-(2-oxopiperidin-1-yl)hexanoate
CID 52944815
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
Dodecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52947517

Frequently Asked Questions

What is the IUPAC name of nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
The IUPAC name of nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate (CID 52947359) is nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate.
What is the SMILES notation for nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
The canonical SMILES for nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate is CCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCCCC1=O.
What is the InChIKey of nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
The InChIKey is YAKZIWCKUFSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O5/c1-2-3-4-5-6-7-12-19-31-24(30)20(25-17-11-9-14-21(25)27)13-8-10-18-26-22(28)15-16-23(26)29/h20H,2-19H2,1H3.
What are the key properties of nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate?
nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate has a molecular weight of 436.59 g/mol, XLogP of 3.98, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate is sourced from PubChem (CID 52947359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).