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

C20H24N4O4 — CID 167734542

IUPAC4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1(C)CC(N)CN1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H24N4O4/c1-20(2)8-12(21)10-23(20)9-11-4-3-5-13-16(11)19(28)24(18(13)27)14-6-7-15(25)22-17(14)26/h3-5,12,14H,6-10,21H2,1-2H3,(H,22,25,26)
InChIKeyBYTSNASGDHJOBL-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.40
Rot. Bonds3

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

4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167734542) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167734542
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1(C)CC(N)CN1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H24N4O4/c1-20(2)8-12(21)10-23(20)9-11-4-3-5-13-16(11)19(28)24(18(13)27)14-6-7-15(25)22-17(14)26/h3-5,12,14H,6-10,21H2,1-2H3,(H,22,25,26)
InChIKeyBYTSNASGDHJOBL-UHFFFAOYSA-N
XLogP0.40
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-amino-9-oxa-1-azaspiro[4.5]decan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716871
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
4-[(3-amino-9-oxa-1-azaspiro[5.5]undecan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734134
4-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
4-[(3-amino-3-methylazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742001
4-[[3-(1-aminocyclopropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727847
4-[[4-(aminomethyl)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724505
4-[[2-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720175
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-[[3-(3-amino-2,2-dimethylpropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740104
4-[[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167719887

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167734542) is 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(C)CC(N)CN1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is BYTSNASGDHJOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-20(2)8-12(21)10-23(20)9-11-4-3-5-13-16(11)19(28)24(18(13)27)14-6-7-15(25)22-17(14)26/h3-5,12,14H,6-10,21H2,1-2H3,(H,22,25,26).
What are the key properties of 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 384.44 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2-dimethylpyrrolidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167734542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).