2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione

C20H22N8O4 — CID 167737689

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNC4(c5nn[nH]n5)CCNCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H22N8O4/c29-14-5-4-13(16(30)23-14)28-17(31)12-3-1-2-11(15(12)18(28)32)10-22-20(6-8-21-9-7-20)19-24-26-27-25-19/h1-3,13,21-22H,4-10H2,(H,23,29,30)(H,24,25,26,27)
InChIKeyNHZQTYANAUVSCA-UHFFFAOYSA-N
MW438.45 g/mol
LogP-1.03
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione (PubChem CID 167737689) has the molecular formula C20H22N8O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
PubChem CID167737689
Molecular FormulaC20H22N8O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNC4(c5nn[nH]n5)CCNCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H22N8O4/c29-14-5-4-13(16(30)23-14)28-17(31)12-3-1-2-11(15(12)18(28)32)10-22-20(6-8-21-9-7-20)19-24-26-27-25-19/h1-3,13,21-22H,4-10H2,(H,23,29,30)(H,24,25,26,27)
InChIKeyNHZQTYANAUVSCA-UHFFFAOYSA-N
XLogP-1.03
TPSA162.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725211
4-[(4-azabicyclo[5.1.0]octan-1-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721124
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(hydroxymethyl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
CID 167738667
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(4-hydroxypiperidin-4-yl)cyclopropyl]amino]methyl]isoindole-1,3-dione
CID 167741601
4-[(3-azaspiro[5.5]undecan-9-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727973
4-[[(4-cyclobutylpiperidin-4-yl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740870
2-(2,6-dioxopiperidin-3-yl)-4-[[(4-piperazin-1-ylcyclohexyl)amino]methyl]isoindole-1,3-dione
CID 167725912
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736475
4-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
4-[(azocan-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735849
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(piperazine-1-carbonyl)cyclohexyl]amino]methyl]isoindole-1,3-dione
CID 167736049

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione (CID 167737689) is 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CNC4(c5nn[nH]n5)CCNCC4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione?
The InChIKey is NHZQTYANAUVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O4/c29-14-5-4-13(16(30)23-14)28-17(31)12-3-1-2-11(15(12)18(28)32)10-22-20(6-8-21-9-7-20)19-24-26-27-25-19/h1-3,13,21-22H,4-10H2,(H,23,29,30)(H,24,25,26,27).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione has a molecular weight of 438.45 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167737689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).