N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten

C15H21N2O4W- — CID 165136668

IUPACN-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
SMILESCC.COC1=[C-]C(C(=O)NC2CCC(=O)NC2=O)=CCC1.[W]
InChIInChI=1S/C13H15N2O4.C2H6.W/c1-19-9-4-2-3-8(7-9)12(17)14-10-5-6-11(16)15-13(10)18;1-2;/h3,10H,2,4-6H2,1H3,(H,14,17)(H,15,16,18);1-2H3;/q-1;;
InChIKeyAGVJWTDABKIEPH-UHFFFAOYSA-N
MW477.18 g/mol
LogP0.99
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten

N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten (PubChem CID 165136668) has the molecular formula C15H21N2O4W- and a molecular weight of 477.18 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
PubChem CID165136668
Molecular FormulaC15H21N2O4W-
Molecular Weight477.18 g/mol
Exact Mass477.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten
SMILESCC.COC1=[C-]C(C(=O)NC2CCC(=O)NC2=O)=CCC1.[W]
InChIInChI=1S/C13H15N2O4.C2H6.W/c1-19-9-4-2-3-8(7-9)12(17)14-10-5-6-11(16)15-13(10)18;1-2;/h3,10H,2,4-6H2,1H3,(H,14,17)(H,15,16,18);1-2H3;/q-1;;
InChIKeyAGVJWTDABKIEPH-UHFFFAOYSA-N
XLogP0.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butane;N-(2,6-dioxopiperidin-3-yl)cyclohexa-1,5-diene-1-carboxamide;ethane;methane;tungsten
CID 166077680
N-(2,6-dioxopiperidin-3-yl)-4,5-difluorocyclohexa-1,5-diene-1-carboxamide;ethane;methanethiol;tungsten
CID 171846804
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide;tungsten
CID 166077741
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
4-amino-N-(2,6-dioxopiperidin-3-yl)-3,6-difluorocyclohepta-1,4,6-triene-1-carboxamide;tungsten
CID 171846820
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
CID 156745010
N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
CID 171788521
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten (CID 165136668) is N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten is CC.COC1=[C-]C(C(=O)NC2CCC(=O)NC2=O)=CCC1.[W].
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
The InChIKey is AGVJWTDABKIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O4.C2H6.W/c1-19-9-4-2-3-8(7-9)12(17)14-10-5-6-11(16)15-13(10)18;1-2;/h3,10H,2,4-6H2,1H3,(H,14,17)(H,15,16,18);1-2H3;/q-1;;.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten?
N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten has a molecular weight of 477.18 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-5-methoxycyclohexa-1,5-diene-1-carboxamide;ethane;tungsten is sourced from PubChem (CID 165136668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).