N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide

C14H12N2O4 — CID 150052761

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2coc3ccccc23)C(=O)N1
InChIInChI=1S/C14H12N2O4/c17-12-6-5-10(14(19)16-12)15-13(18)9-7-20-11-4-2-1-3-8(9)11/h1-4,7,10H,5-6H2,(H,15,18)(H,16,17,19)/t10-/m0/s1
InChIKeyDLQXJRQBPBIMKG-JTQLQIEISA-N
MW272.26 g/mol
LogP0.97
Rot. Bonds2

About N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 150052761) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide
PubChem CID150052761
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2coc3ccccc23)C(=O)N1
InChIInChI=1S/C14H12N2O4/c17-12-6-5-10(14(19)16-12)15-13(18)9-7-20-11-4-2-1-3-8(9)11/h1-4,7,10H,5-6H2,(H,15,18)(H,16,17,19)/t10-/m0/s1
InChIKeyDLQXJRQBPBIMKG-JTQLQIEISA-N
XLogP0.97
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide (CID 150052761) is N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide is O=C1CC[C@H](NC(=O)c2coc3ccccc23)C(=O)N1.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is DLQXJRQBPBIMKG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12-6-5-10(14(19)16-12)15-13(18)9-7-20-11-4-2-1-3-8(9)11/h1-4,7,10H,5-6H2,(H,15,18)(H,16,17,19)/t10-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 150052761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).