3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

C25H27N3O5 — CID 140915130

IUPAC3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

SMILES[2H]c1c([2H])c(OC([2H])([2H])c2c([2H])c([2H])c(C([2H])([2H])N3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2([2H])[2H]

InChIInChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/i1D,2D,3D,4D,5D,6D,7D,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2

InChIKeyIXZOHGPZAQLIBH-VEUBVWKESA-N

MW474.66 g/mol

LogP1.86

Rot. Bonds6

About 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione (PubChem CID 140915130) has the molecular formula C25H27N3O5 and a molecular weight of 474.66 g/mol. Its IUPAC name is 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
PubChem CID	140915130
Molecular Formula	C25H27N3O5
Molecular Weight	474.66 g/mol
Exact Mass	474.35
IUPAC Name	3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
SMILES	[2H]c1c([2H])c(OC([2H])([2H])c2c([2H])c([2H])c(C([2H])([2H])N3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2([2H])[2H]
InChI	InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/i1D,2D,3D,4D,5D,6D,7D,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
InChIKey	IXZOHGPZAQLIBH-VEUBVWKESA-N
XLogP	1.86
TPSA	88.18 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.66
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione (CID 140915130) is 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione is [2H]c1c([2H])c(OC([2H])([2H])c2c([2H])c([2H])c(C([2H])([2H])N3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2([2H])[2H].

What is the InChIKey of 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The InChIKey is IXZOHGPZAQLIBH-VEUBVWKESA-N. The full InChI is InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/i1D,2D,3D,4D,5D,6D,7D,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2.

What are the key properties of 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 474.66 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 140915130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).