2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione

C26H33N3O3 — CID 118729052

IUPAC2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCNC1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C26H33N3O3/c30-22-11-9-20(10-12-22)19-28-17-13-21(14-18-28)27-15-5-1-2-6-16-29-25(31)23-7-3-4-8-24(23)26(29)32/h3-4,7-12,21,27,30H,1-2,5-6,13-19H2
InChIKeyHJXILFWTTCAHNL-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.80
Rot. Bonds10

About 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione

2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione (PubChem CID 118729052) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione
PubChem CID118729052
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCNC1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C26H33N3O3/c30-22-11-9-20(10-12-22)19-28-17-13-21(14-18-28)27-15-5-1-2-6-16-29-25(31)23-7-3-4-8-24(23)26(29)32/h3-4,7-12,21,27,30H,1-2,5-6,13-19H2
InChIKeyHJXILFWTTCAHNL-UHFFFAOYSA-N
XLogP3.80
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-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

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)-3-(4-hydroxyphenyl)propanoic acid
CID 233006
5-Hydroxythalidomide
CID 5743568
(S)-2-(2,6-Dioxopiperidin-3-yl)-5-hydroxyisoindoline-1,3-dione
CID 44250311
4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide
CID 16224613
3-(5-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-(6-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517903
2-[4-[(1R,5R)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butyl]isoindole-1,3-dione
CID 137642522
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-phenyl-butyl)-benzamide
CID 10024067
2-(5-Hydroxy-1,3-dihydro-isoindol-2-ylmethyl)-N-(4-phenyl-but-3-enyl)-benzamide
CID 10476003
4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-phenyl)-methyl]-N-ethyl-benzamide
CID 18545701
2-(7-Hydroxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-ylmethyl)-N-(4-phenyl-but-3-enyl)-benzamide
CID 23544093
2-[(2-Hydroxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylamino)-methyl]-N-(4-phenyl-but-3-enyl)-benzamide
CID 23544094

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
The IUPAC name of 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione (CID 118729052) is 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCNC1CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
The InChIKey is HJXILFWTTCAHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-22-11-9-20(10-12-22)19-28-17-13-21(14-18-28)27-15-5-1-2-6-16-29-25(31)23-7-3-4-8-24(23)26(29)32/h3-4,7-12,21,27,30H,1-2,5-6,13-19H2.
What are the key properties of 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione has a molecular weight of 435.57 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione is sourced from PubChem (CID 118729052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).