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

C21H26N4O5 — CID 167735671

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione
SMILESCOCC1(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCCNC1
InChIInChI=1S/C21H26N4O5/c1-30-12-21(8-3-9-22-11-21)23-10-13-4-2-5-14-17(13)20(29)25(19(14)28)15-6-7-16(26)24-18(15)27/h2,4-5,15,22-23H,3,6-12H2,1H3,(H,24,26,27)
InChIKeyBOAFRSKCXYRSMY-UHFFFAOYSA-N
MW414.46 g/mol
LogP-0.05
Rot. Bonds6

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

2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione (PubChem CID 167735671) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione
PubChem CID167735671
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione
SMILESCOCC1(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCCNC1
InChIInChI=1S/C21H26N4O5/c1-30-12-21(8-3-9-22-11-21)23-10-13-4-2-5-14-17(13)20(29)25(19(14)28)15-6-7-16(26)24-18(15)27/h2,4-5,15,22-23H,3,6-12H2,1H3,(H,24,26,27)
InChIKeyBOAFRSKCXYRSMY-UHFFFAOYSA-N
XLogP-0.05
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(hydroxymethyl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
CID 167738667
4-[(1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridin-4a-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167719403
2-(2,6-dioxopiperidin-3-yl)-4-[(1-oxa-9-azaspiro[4.5]decan-3-ylamino)methyl]isoindole-1,3-dione
CID 167720681
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(4-hydroxypiperidin-4-yl)cyclopropyl]amino]methyl]isoindole-1,3-dione
CID 167741601
4-[(2-azaspiro[4.5]decan-8-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167725877
4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736475
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
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-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736092

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione (CID 167735671) is 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione is COCC1(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCCNC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione?
The InChIKey is BOAFRSKCXYRSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-30-12-21(8-3-9-22-11-21)23-10-13-4-2-5-14-17(13)20(29)25(19(14)28)15-6-7-16(26)24-18(15)27/h2,4-5,15,22-23H,3,6-12H2,1H3,(H,24,26,27).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione has a molecular weight of 414.46 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[[3-(methoxymethyl)piperidin-3-yl]amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167735671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).