(3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione

C25H28N4O4 — CID 140915146

IUPAC(3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N([C@H]1CCC(=O)NC1=O)C2=O)c1ccc(C([2H])([2H])N2CCOCC2)cc1
InChIInChI=1S/C25H28N4O4/c30-23-9-8-22(24(31)27-23)29-16-20-19(25(29)32)2-1-3-21(20)26-14-17-4-6-18(7-5-17)15-28-10-12-33-13-11-28/h1-7,22,26H,8-16H2,(H,27,30,31)/t22-/m0/s1/i14D2,15D2,16D2
InChIKeySGQYVCBNYMIUQV-XTNFZIKUSA-N
MW454.56 g/mol
LogP1.89
Rot. Bonds6

About (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione

(3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione (PubChem CID 140915146) has the molecular formula C25H28N4O4 and a molecular weight of 454.56 g/mol. Its IUPAC name is (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
PubChem CID140915146
Molecular FormulaC25H28N4O4
Molecular Weight454.56 g/mol
Exact Mass454.25
IUPAC Name(3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N([C@H]1CCC(=O)NC1=O)C2=O)c1ccc(C([2H])([2H])N2CCOCC2)cc1
InChIInChI=1S/C25H28N4O4/c30-23-9-8-22(24(31)27-23)29-16-20-19(25(29)32)2-1-3-21(20)26-14-17-4-6-18(7-5-17)15-28-10-12-33-13-11-28/h1-7,22,26H,8-16H2,(H,27,30,31)/t22-/m0/s1/i14D2,15D2,16D2
InChIKeySGQYVCBNYMIUQV-XTNFZIKUSA-N
XLogP1.89
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-[[dideuterio-[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817357
(3R)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159987516
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
(3S)-3-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 153447360
3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 159849881
3-deuterio-3-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;(3R)-3-deuterio-3-[1,1-dideuterio-7-[dideuterio-[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-dideuterio-7-[[dideuterio-[4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;(5R)-3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;(5S)-3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 162068962
3-[7-[dideuterio-[3,5-dideuterio-4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582925
3-[7-[dideuterio-[2,5-dideuterio-4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582923
3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915213
(3R)-3-[7-[[4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915059
3-[7-[[2,5-dideuterio-4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582896
(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162068963

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione (CID 140915146) is (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione is [2H]C([2H])(Nc1cccc2c1C([2H])([2H])N([C@H]1CCC(=O)NC1=O)C2=O)c1ccc(C([2H])([2H])N2CCOCC2)cc1.
What is the InChIKey of (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is SGQYVCBNYMIUQV-XTNFZIKUSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-23-9-8-22(24(31)27-23)29-16-20-19(25(29)32)2-1-3-21(20)26-14-17-4-6-18(7-5-17)15-28-10-12-33-13-11-28/h1-7,22,26H,8-16H2,(H,27,30,31)/t22-/m0/s1/i14D2,15D2,16D2.
What are the key properties of (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
(3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 454.56 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1,1-dideuterio-7-[[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 140915146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).