3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride

C61H74ClF2N9O8 — CID 167536201

About 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride

3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 167536201) has the molecular formula C61H74ClF2N9O8 and a molecular weight of 1134.77 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
• PubChem CID: 167536201
• Molecular Formula: C61H74ClF2N9O8
• Molecular Weight: 1134.77 g/mol
• Exact Mass: 1133.53
• IUPAC Name: 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
• SMILES: Cl.O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4cc(F)ccc4N4CCCCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4cc(F)ccc4N4CCNCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C31H37FN4O4.C30H36FN5O4.ClH/c32-23-7-10-27(34-13-3-1-4-14-34)22(16-23)18-35-15-5-2-6-24(35)20-40-25-8-9-26-21(17-25)19-36(31(26)39)28-11-12-29(37)33-30(28)38;31-22-4-7-26(34-13-10-32-11-14-34)21(15-22)17-35-12-2-1-3-23(35)19-40-24-5-6-25-20(16-24)18-36(30(25)39)27-8-9-28(37)33-29(27)38;/h7-10,16-17,24,28H,1-6,11-15,18-20H2,(H,33,37,38);4-7,15-16,23,27,32H,1-3,8-14,17-19H2,(H,33,37,38);1H/t24-,28?;23-,27?;/m11./s1
• InChIKey: VUIGYZYZLQKBEN-JZEUFOKMSA-N
• XLogP: 6.86
• TPSA: 176.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1134.77
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride (CID 167536201) is 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride.

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

The canonical SMILES for 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride is Cl.O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4cc(F)ccc4N4CCCCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4cc(F)ccc4N4CCNCC4)ccc3C2=O)C(=O)N1.

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

The InChIKey is VUIGYZYZLQKBEN-JZEUFOKMSA-N. The full InChI is InChI=1S/C31H37FN4O4.C30H36FN5O4.ClH/c32-23-7-10-27(34-13-3-1-4-14-34)22(16-23)18-35-15-5-2-6-24(35)20-40-25-8-9-26-21(17-25)19-36(31(26)39)28-11-12-29(37)33-30(28)38;31-22-4-7-26(34-13-10-32-11-14-34)21(15-22)17-35-12-2-1-3-23(35)19-40-24-5-6-25-20(16-24)18-36(30(25)39)27-8-9-28(37)33-29(27)38;/h7-10,16-17,24,28H,1-6,11-15,18-20H2,(H,33,37,38);4-7,15-16,23,27,32H,1-3,8-14,17-19H2,(H,33,37,38);1H/t24-,28?;23-,27?;/m11./s1.

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

3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 1134.77 g/mol, XLogP of 6.86, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[(2R)-1-[(5-fluoro-2-piperazin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[(2R)-1-[(5-fluoro-2-piperidin-1-ylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 167536201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).