2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile

C27H28N4O5 — CID 163858471

IUPAC2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile
SMILESC[C@@]1(N2Cc3c(OCc4ccc(C(C#N)N5CCOCC5)cc4)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C27H28N4O5/c1-27(10-9-24(32)29-26(27)34)31-16-21-20(25(31)33)3-2-4-23(21)36-17-18-5-7-19(8-6-18)22(15-28)30-11-13-35-14-12-30/h2-8,22H,9-14,16-17H2,1H3,(H,29,32,34)/t22?,27-/m1/s1
InChIKeyPALGMRVBLNPOEF-RZIURPKCSA-N
MW488.54 g/mol
LogP2.31
Rot. Bonds6

About 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile

2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile (PubChem CID 163858471) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile
PubChem CID163858471
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile
SMILESC[C@@]1(N2Cc3c(OCc4ccc(C(C#N)N5CCOCC5)cc4)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C27H28N4O5/c1-27(10-9-24(32)29-26(27)34)31-16-21-20(25(31)33)3-2-4-23(21)36-17-18-5-7-19(8-6-18)22(15-28)30-11-13-35-14-12-30/h2-8,22H,9-14,16-17H2,1H3,(H,29,32,34)/t22?,27-/m1/s1
InChIKeyPALGMRVBLNPOEF-RZIURPKCSA-N
XLogP2.31
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile 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-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 166507159
4-(2-chlorophenyl)-1-[3-[[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propyl]piperidine-4-carbonitrile
CID 162769854
1-[3-[[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propyl]-4-[2-(trifluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 146479975
CID 144674106
CID 144674106
(3S)-3-[7-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-3-oxo-1H-isoindol-2-yl]-3-methylpiperidine-2,6-dione
CID 162769888
3-amino-3-[7-[[4-[[2-aminoethyl(ethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 123178735
1-deuterio-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582759
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
CID 142407175
CID 142407175
3-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389274
3-[3-oxo-7-[[4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135262450
ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163268043

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile (CID 163858471) is 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile is C[C@@]1(N2Cc3c(OCc4ccc(C(C#N)N5CCOCC5)cc4)cccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile?
The InChIKey is PALGMRVBLNPOEF-RZIURPKCSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-27(10-9-24(32)29-26(27)34)31-16-21-20(25(31)33)3-2-4-23(21)36-17-18-5-7-19(8-6-18)22(15-28)30-11-13-35-14-12-30/h2-8,22H,9-14,16-17H2,1H3,(H,29,32,34)/t22?,27-/m1/s1.
What are the key properties of 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile?
2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile has a molecular weight of 488.54 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 163858471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).