N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide

C18H17N3O5 — CID 70673935

About N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide

N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 70673935) has the molecular formula C18H17N3O5 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
• PubChem CID: 70673935
• Molecular Formula: C18H17N3O5
• Molecular Weight: 356.36 g/mol
• Exact Mass: 356.12
• IUPAC Name: N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
• SMILES: [2H][C@]1(N2C(=O)c3cccc(CNC(=O)C4CC4)c3C2=O)CCC(=O)NC1=O
• InChI: InChI=1S/C18H17N3O5/c22-13-7-6-12(16(24)20-13)21-17(25)11-3-1-2-10(14(11)18(21)26)8-19-15(23)9-4-5-9/h1-3,9,12H,4-8H2,(H,19,23)(H,20,22,24)/t12-/m0/s1/i12D
• InChIKey: ZBXHNCURDISBRO-NUIXEDQCSA-N
• XLogP: 0.11
• TPSA: 112.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.36
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide?

The IUPAC name of N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide (CID 70673935) is N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide?

The canonical SMILES for N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide is [2H][C@]1(N2C(=O)c3cccc(CNC(=O)C4CC4)c3C2=O)CCC(=O)NC1=O.

What is the InChIKey of N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide?

The InChIKey is ZBXHNCURDISBRO-NUIXEDQCSA-N. The full InChI is InChI=1S/C18H17N3O5/c22-13-7-6-12(16(24)20-13)21-17(25)11-3-1-2-10(14(11)18(21)26)8-19-15(23)9-4-5-9/h1-3,9,12H,4-8H2,(H,19,23)(H,20,22,24)/t12-/m0/s1/i12D.

What are the key properties of N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide?

N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 356.36 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 70673935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).