3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C30H33N5O4 — CID 156500932

About 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500932) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 156500932
• Molecular Formula: C30H33N5O4
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.25
• IUPAC Name: 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cn1nc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1-c1ccccc1
• InChI: InChI=1S/C30H33N5O4/c1-33-27(20-7-3-2-4-8-20)16-22(32-33)18-34-14-6-5-9-23(34)19-39-24-10-11-25-21(15-24)17-35(30(25)38)26-12-13-28(36)31-29(26)37/h2-4,7-8,10-11,15-16,23,26H,5-6,9,12-14,17-19H2,1H3,(H,31,36,37)/t23-,26?/m1/s1
• InChIKey: ZLOGAMSMVMAPIB-GEPVFLLWSA-N
• XLogP: 3.28
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500932) is 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1nc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1-c1ccccc1.

What is the InChIKey of 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ZLOGAMSMVMAPIB-GEPVFLLWSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-33-27(20-7-3-2-4-8-20)16-22(32-33)18-34-14-6-5-9-23(34)19-39-24-10-11-25-21(15-24)17-35(30(25)38)26-12-13-28(36)31-29(26)37/h2-4,7-8,10-11,15-16,23,26H,5-6,9,12-14,17-19H2,1H3,(H,31,36,37)/t23-,26?/m1/s1.

What are the key properties of 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 527.63 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[(2R)-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).