3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile

C20H23N5O3 — CID 167720573

IUPAC3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile
SMILESN#CC1(N)CCCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C20H23N5O3/c21-11-20(22)6-1-7-24(12-20)9-13-2-3-14-10-25(19(28)15(14)8-13)16-4-5-17(26)23-18(16)27/h2-3,8,16H,1,4-7,9-10,12,22H2,(H,23,26,27)
InChIKeyXGKJDWCRCVHIGR-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.26
Rot. Bonds3

About 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile

3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile (PubChem CID 167720573) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile
PubChem CID167720573
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile
SMILESN#CC1(N)CCCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C20H23N5O3/c21-11-20(22)6-1-7-24(12-20)9-13-2-3-14-10-25(19(28)15(14)8-13)16-4-5-17(26)23-18(16)27/h2-3,8,16H,1,4-7,9-10,12,22H2,(H,23,26,27)
InChIKeyXGKJDWCRCVHIGR-UHFFFAOYSA-N
XLogP0.26
TPSA119.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile with MolForge

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Related Compounds

3-[5-(2,6-diazaspiro[3.5]nonan-6-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734001
3-[5-[[3-hydroxy-3-(methylaminomethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740401
3-[5-(1,7-diazaspiro[3.4]octan-7-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715100
3-[5-[[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741172
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739661
3-[5-[[4-(5-aminopentyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730458
3-[5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732277
3-[5-[[4-(3-aminooxetan-3-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731304
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721336

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile?
The IUPAC name of 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile (CID 167720573) is 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile.
What is the SMILES notation for 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile?
The canonical SMILES for 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile is N#CC1(N)CCCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1.
What is the InChIKey of 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile?
The InChIKey is XGKJDWCRCVHIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c21-11-20(22)6-1-7-24(12-20)9-13-2-3-14-10-25(19(28)15(14)8-13)16-4-5-17(26)23-18(16)27/h2-3,8,16H,1,4-7,9-10,12,22H2,(H,23,26,27).
What are the key properties of 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile?
3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 167720573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).