3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H32N4O3 — CID 167717186

IUPAC3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CNC4CCNC5(CCCCC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H32N4O3/c29-21-7-6-20(22(30)27-21)28-15-17-5-4-16(12-19(17)23(28)31)14-25-18-8-11-26-24(13-18)9-2-1-3-10-24/h4-5,12,18,20,25-26H,1-3,6-11,13-15H2,(H,27,29,30)
InChIKeyOZUSWOQPHFCIII-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.99
Rot. Bonds4

About 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167717186) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167717186
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CNC4CCNC5(CCCCC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H32N4O3/c29-21-7-6-20(22(30)27-21)28-15-17-5-4-16(12-19(17)23(28)31)14-25-18-8-11-26-24(13-18)9-2-1-3-10-24/h4-5,12,18,20,25-26H,1-3,6-11,13-15H2,(H,27,29,30)
InChIKeyOZUSWOQPHFCIII-UHFFFAOYSA-N
XLogP1.99
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-5-[[[(3R)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740508
3-[5-[(1-oxa-8-azaspiro[4.5]decan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717311
3-[5-[(5-azaspiro[3.5]nonan-9-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737887
3-[5-[[(2,2-dimethylpiperidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726529
3-[5-[[(1-aminocycloheptyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725922
3-[5-[[(1-aminocyclohexyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725102
3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719026
3-[3-oxo-6-[(spiro[5.5]undecan-3-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168960401
3-[5-[[[3-(aminomethyl)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715069
3-[5-[[[3-(2-aminoethyl)cyclobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728972
3-[6-[(7-azaspiro[4.5]decan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716145
3-[5-[[(4-ethylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741296

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167717186) is 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CNC4CCNC5(CCCCC5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OZUSWOQPHFCIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c29-21-7-6-20(22(30)27-21)28-15-17-5-4-16(12-19(17)23(28)31)14-25-18-8-11-26-24(13-18)9-2-1-3-10-24/h4-5,12,18,20,25-26H,1-3,6-11,13-15H2,(H,27,29,30).
What are the key properties of 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 424.55 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167717186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).