4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide

C16H21N3O4 — CID 171846872

IUPAC4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
SMILESCOC1=CC(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1
InChIInChI=1S/C16H21N3O4/c1-19(2)11-5-4-10(8-12(9-11)23-3)15(21)17-13-6-7-14(20)18-16(13)22/h4-5,8,13H,6-7,9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyOCEQYMASEAZGHR-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.21
Rot. Bonds4

About 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 171846872) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
PubChem CID171846872
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
SMILESCOC1=CC(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1
InChIInChI=1S/C16H21N3O4/c1-19(2)11-5-4-10(8-12(9-11)23-3)15(21)17-13-6-7-14(20)18-16(13)22/h4-5,8,13H,6-7,9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyOCEQYMASEAZGHR-UHFFFAOYSA-N
XLogP0.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide
CID 171846944
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
CID 166077673
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten
CID 166077672
N-(2,6-dioxopiperidin-3-yl)-4-methoxy-2-methylthiophene-3-carboxamide
CID 156745010
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)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide
CID 166077513
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide (CID 171846872) is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide is COC1=CC(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1.
What is the InChIKey of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is OCEQYMASEAZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-19(2)11-5-4-10(8-12(9-11)23-3)15(21)17-13-6-7-14(20)18-16(13)22/h4-5,8,13H,6-7,9H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 171846872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).