N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide

C18H26N4O6 — CID 175152046

IUPACN',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
SMILESNC(=O)CCCCCCC(=O)N(C1CCC(=O)NC1=O)C1CCC(=O)NC1=O
InChIInChI=1S/C18H26N4O6/c19-13(23)5-3-1-2-4-6-16(26)22(11-7-9-14(24)20-17(11)27)12-8-10-15(25)21-18(12)28/h11-12H,1-10H2,(H2,19,23)(H,20,24,27)(H,21,25,28)
InChIKeyVSPPUPDNPSHYQR-UHFFFAOYSA-N
MW394.43 g/mol
LogP-0.75
Rot. Bonds9

About N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide

N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide (PubChem CID 175152046) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide.

Molecular Properties

Compound NameN',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
PubChem CID175152046
Molecular FormulaC18H26N4O6
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC NameN',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
SMILESNC(=O)CCCCCCC(=O)N(C1CCC(=O)NC1=O)C1CCC(=O)NC1=O
InChIInChI=1S/C18H26N4O6/c19-13(23)5-3-1-2-4-6-16(26)22(11-7-9-14(24)20-17(11)27)12-8-10-15(25)21-18(12)28/h11-12H,1-10H2,(H2,19,23)(H,20,24,27)(H,21,25,28)
InChIKeyVSPPUPDNPSHYQR-UHFFFAOYSA-N
XLogP-0.75
TPSA155.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379
butanediamide;pyrrolidine-2,5-dione
CID 22719144
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide
CID 171591892
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
CID 135296477
N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide
CID 67417202
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione
CID 118882236
N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 139363228
pentadecanediamide
CID 87429217
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide?
The IUPAC name of N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide (CID 175152046) is N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide.
What is the SMILES notation for N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide?
The canonical SMILES for N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide is NC(=O)CCCCCCC(=O)N(C1CCC(=O)NC1=O)C1CCC(=O)NC1=O.
What is the InChIKey of N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide?
The InChIKey is VSPPUPDNPSHYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6/c19-13(23)5-3-1-2-4-6-16(26)22(11-7-9-14(24)20-17(11)27)12-8-10-15(25)21-18(12)28/h11-12H,1-10H2,(H2,19,23)(H,20,24,27)(H,21,25,28).
What are the key properties of N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide?
N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide has a molecular weight of 394.43 g/mol, XLogP of -0.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide is sourced from PubChem (CID 175152046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).