N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide

C15H19N3O3 — CID 170003320

IUPACN-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide
SMILESCC(C)C1C=CN=C(C(=O)NC2CCC(=O)NC2=O)C=C1
InChIInChI=1S/C15H19N3O3/c1-9(2)10-3-4-11(16-8-7-10)14(20)17-12-5-6-13(19)18-15(12)21/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyKRPKHJKTKNOWHC-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.70
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide

N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide (PubChem CID 170003320) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide
PubChem CID170003320
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide
SMILESCC(C)C1C=CN=C(C(=O)NC2CCC(=O)NC2=O)C=C1
InChIInChI=1S/C15H19N3O3/c1-9(2)10-3-4-11(16-8-7-10)14(20)17-12-5-6-13(19)18-15(12)21/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyKRPKHJKTKNOWHC-UHFFFAOYSA-N
XLogP0.70
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide (CID 170003320) is N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide is CC(C)C1C=CN=C(C(=O)NC2CCC(=O)NC2=O)C=C1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide?
The InChIKey is KRPKHJKTKNOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)10-3-4-11(16-8-7-10)14(20)17-12-5-6-13(19)18-15(12)21/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.70, 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)-4-propan-2-yl-4H-azepine-7-carboxamide is sourced from PubChem (CID 170003320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).