N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide

C13H19N3O4 — CID 136540043

IUPACN-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
SMILESO=C1CCC(NC(=O)CC2CCCCC(=O)N2)C(=O)N1
InChIInChI=1S/C13H19N3O4/c17-10-4-2-1-3-8(14-10)7-12(19)15-9-5-6-11(18)16-13(9)20/h8-9H,1-7H2,(H,14,17)(H,15,19)(H,16,18,20)
InChIKeyYKPZKBZCSCIIGK-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.64
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide

N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide (PubChem CID 136540043) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
PubChem CID136540043
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
SMILESO=C1CCC(NC(=O)CC2CCCCC(=O)N2)C(=O)N1
InChIInChI=1S/C13H19N3O4/c17-10-4-2-1-3-8(14-10)7-12(19)15-9-5-6-11(18)16-13(9)20/h8-9H,1-7H2,(H,14,17)(H,15,19)(H,16,18,20)
InChIKeyYKPZKBZCSCIIGK-UHFFFAOYSA-N
XLogP-0.64
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
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)-2-(7-oxoazepan-2-yl)acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide (CID 136540043) is N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide is O=C1CCC(NC(=O)CC2CCCCC(=O)N2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide?
The InChIKey is YKPZKBZCSCIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-10-4-2-1-3-8(14-10)7-12(19)15-9-5-6-11(18)16-13(9)20/h8-9H,1-7H2,(H,14,17)(H,15,19)(H,16,18,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide?
N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide is sourced from PubChem (CID 136540043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).