3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H34N4O4 — CID 170046249

IUPAC3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCN1CCC2(CC1)CC(CCNc1cccc3c1C(O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C25H34N4O4/c1-2-28-12-9-25(10-13-28)14-16(15-25)8-11-26-18-5-3-4-17-21(18)24(33)29(23(17)32)19-6-7-20(30)27-22(19)31/h3-5,16,19,24,26,33H,2,6-15H2,1H3,(H,27,30,31)
InChIKeyZHOOWWGTUKRLLF-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.25
Rot. Bonds6

About 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170046249) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170046249
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCN1CCC2(CC1)CC(CCNc1cccc3c1C(O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C25H34N4O4/c1-2-28-12-9-25(10-13-28)14-16(15-25)8-11-26-18-5-3-4-17-21(18)24(33)29(23(17)32)19-6-7-20(30)27-22(19)31/h3-5,16,19,24,26,33H,2,6-15H2,1H3,(H,27,30,31)
InChIKeyZHOOWWGTUKRLLF-UHFFFAOYSA-N
XLogP2.25
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146209888
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]ethyl]carbamate
CID 162432113
3-[[(3R)-2-[(3R)-2,6-dioxopiperidin-3-yl]-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1-oxo-3H-isoindol-4-yl]amino]propyl methanesulfonate
CID 170701934
3-[7-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155020267
N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167048205
2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione
CID 177003060
N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167375741
tert-butyl N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 138627254
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanal;methanol
CID 168902985
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide
CID 176891541

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170046249) is 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CCN1CCC2(CC1)CC(CCNc1cccc3c1C(O)N(C1CCC(=O)NC1=O)C3=O)C2.
What is the InChIKey of 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZHOOWWGTUKRLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-2-28-12-9-25(10-13-28)14-16(15-25)8-11-26-18-5-3-4-17-21(18)24(33)29(23(17)32)19-6-7-20(30)27-22(19)31/h3-5,16,19,24,26,33H,2,6-15H2,1H3,(H,27,30,31).
What are the key properties of 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 454.57 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170046249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).