3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C27H41N3O3 — CID 170214615

IUPAC3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCC(CC(C)(C)C)N[C@H]1CCCC[C@@H]1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2O
InChIInChI=1S/C27H41N3O3/c1-17(15-27(2,3)4)28-22-8-6-5-7-19(22)13-18-9-10-21-20(14-18)16-30(26(21)33)23-11-12-24(31)29-25(23)32/h9-10,14,17,19,22-23,26,28,33H,5-8,11-13,15-16H2,1-4H3,(H,29,31,32)/t17?,19-,22+,23?,26?/m1/s1
InChIKeyUGZDGVVJFXZBFJ-KIAXZASCSA-N
MW455.64 g/mol
LogP3.81
Rot. Bonds6

About 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 170214615) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID170214615
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCC(CC(C)(C)C)N[C@H]1CCCC[C@@H]1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2O
InChIInChI=1S/C27H41N3O3/c1-17(15-27(2,3)4)28-22-8-6-5-7-19(22)13-18-9-10-21-20(14-18)16-30(26(21)33)23-11-12-24(31)29-25(23)32/h9-10,14,17,19,22-23,26,28,33H,5-8,11-13,15-16H2,1-4H3,(H,29,31,32)/t17?,19-,22+,23?,26?/m1/s1
InChIKeyUGZDGVVJFXZBFJ-KIAXZASCSA-N
XLogP3.81
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-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-[6-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169068145
3-[6-[[(1R,2S)-2-(butan-2-ylamino)cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169067718
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-[6-[[(1R,2S)-2-[[(1S)-1-cyclopropylpropyl]amino]cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169191039
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-piperidin-4-ylurea
CID 143987096
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]-3-[4-[[4-(2-hydroxypropan-2-yl)phenyl]methoxy]phenyl]urea
CID 176989738
3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174315913
3-[6-[[(1R,2S)-2-[[(3S)-2,2-dimethyloxolan-3-yl]amino]cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169190883
3-[6-[[(1R,2S)-2-[[(3aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl]amino]cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169190895
3-[5-(piperidin-4-ylmethyl)-1-sulfanyl-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176674069

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 170214615) is 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is CC(CC(C)(C)C)N[C@H]1CCCC[C@@H]1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2O.
What is the InChIKey of 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is UGZDGVVJFXZBFJ-KIAXZASCSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-17(15-27(2,3)4)28-22-8-6-5-7-19(22)13-18-9-10-21-20(14-18)16-30(26(21)33)23-11-12-24(31)29-25(23)32/h9-10,14,17,19,22-23,26,28,33H,5-8,11-13,15-16H2,1-4H3,(H,29,31,32)/t17?,19-,22+,23?,26?/m1/s1.
What are the key properties of 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 455.64 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170214615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).