4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide

C17H21N3O3 — CID 69277245

IUPAC4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(C2CC(=O)NC(=O)C2)cc1N1CCCCC1
InChIInChI=1S/C17H21N3O3/c18-17(23)13-5-4-11(12-9-15(21)19-16(22)10-12)8-14(13)20-6-2-1-3-7-20/h4-5,8,12H,1-3,6-7,9-10H2,(H2,18,23)(H,19,21,22)
InChIKeySDBMDIWELHXNEO-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.30
Rot. Bonds3

About 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide

4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide (PubChem CID 69277245) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide
PubChem CID69277245
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(C2CC(=O)NC(=O)C2)cc1N1CCCCC1
InChIInChI=1S/C17H21N3O3/c18-17(23)13-5-4-11(12-9-15(21)19-16(22)10-12)8-14(13)20-6-2-1-3-7-20/h4-5,8,12H,1-3,6-7,9-10H2,(H2,18,23)(H,19,21,22)
InChIKeySDBMDIWELHXNEO-UHFFFAOYSA-N
XLogP1.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.30
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 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide (CID 69277245) is 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide is NC(=O)c1ccc(C2CC(=O)NC(=O)C2)cc1N1CCCCC1.
What is the InChIKey of 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide?
The InChIKey is SDBMDIWELHXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-17(23)13-5-4-11(12-9-15(21)19-16(22)10-12)8-14(13)20-6-2-1-3-7-20/h4-5,8,12H,1-3,6-7,9-10H2,(H2,18,23)(H,19,21,22).
What are the key properties of 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide?
4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 69277245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).