3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C29H35N5O5 — CID 156501119

About 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156501119) has the molecular formula C29H35N5O5 and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 156501119
• Molecular Formula: C29H35N5O5
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.26
• IUPAC Name: 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OCC4CCCCN4Cc4ccnc(N5CCOCC5)c4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C29H35N5O5/c35-27-7-6-25(28(36)31-27)34-18-21-16-23(4-5-24(21)29(34)37)39-19-22-3-1-2-10-33(22)17-20-8-9-30-26(15-20)32-11-13-38-14-12-32/h4-5,8-9,15-16,22,25H,1-3,6-7,10-14,17-19H2,(H,31,35,36)
• InChIKey: SOCYKQKRZGCGPV-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 104.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156501119) is 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OCC4CCCCN4Cc4ccnc(N5CCOCC5)c4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is SOCYKQKRZGCGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O5/c35-27-7-6-25(28(36)31-27)34-18-21-16-23(4-5-24(21)29(34)37)39-19-22-3-1-2-10-33(22)17-20-8-9-30-26(15-20)32-11-13-38-14-12-32/h4-5,8-9,15-16,22,25H,1-3,6-7,10-14,17-19H2,(H,31,35,36).

What are the key properties of 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 533.63 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156501119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).