(1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate

C27H30N6O6 — CID 155469910

About (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 155469910) has the molecular formula C27H30N6O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 155469910
• Molecular Formula: C27H30N6O6
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.22
• IUPAC Name: (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
• SMILES: CC1(OC(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CC1
• InChI: InChI=1S/C27H30N6O6/c1-27(9-10-27)39-26(38)31-11-7-17(8-12-31)32-15-16(14-29-32)13-28-19-4-2-3-18-22(19)25(37)33(24(18)36)20-5-6-21(34)30-23(20)35/h2-4,14-15,17,20,28H,5-13H2,1H3,(H,30,34,35)
• InChIKey: FMTGBSDZTUXKDC-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 142.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate (CID 155469910) is (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate is CC1(OC(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CC1.

What is the InChIKey of (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?

The InChIKey is FMTGBSDZTUXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O6/c1-27(9-10-27)39-26(38)31-11-7-17(8-12-31)32-15-16(14-29-32)13-28-19-4-2-3-18-22(19)25(37)33(24(18)36)20-5-6-21(34)30-23(20)35/h2-4,14-15,17,20,28H,5-13H2,1H3,(H,30,34,35).

What are the key properties of (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?

(1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 534.57 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155469910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).