5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide

C17H22N2O3 — CID 170003318

IUPAC5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
SMILESCC(C)(C)C1C=CC=C(C(=O)NC2CCC(=O)NC2=O)C=C1
InChIInChI=1S/C17H22N2O3/c1-17(2,3)12-6-4-5-11(7-8-12)15(21)18-13-9-10-14(20)19-16(13)22/h4-8,12-13H,9-10H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyHZNZHRGVYBIMRC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.62
Rot. Bonds2

About 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide

5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 170003318) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
PubChem CID170003318
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
SMILESCC(C)(C)C1C=CC=C(C(=O)NC2CCC(=O)NC2=O)C=C1
InChIInChI=1S/C17H22N2O3/c1-17(2,3)12-6-4-5-11(7-8-12)15(21)18-13-9-10-14(20)19-16(13)22/h4-8,12-13H,9-10H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyHZNZHRGVYBIMRC-UHFFFAOYSA-N
XLogP1.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 166077676
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 110475285
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 167377021
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide (CID 170003318) is 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide is CC(C)(C)C1C=CC=C(C(=O)NC2CCC(=O)NC2=O)C=C1.
What is the InChIKey of 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is HZNZHRGVYBIMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,3)12-6-4-5-11(7-8-12)15(21)18-13-9-10-14(20)19-16(13)22/h4-8,12-13H,9-10H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide?
5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 170003318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).