(3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

C11H22N4O2+2 — CID 7453791

IUPAC(3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)C[C@@H]([NH+]2CC[NH+](C)CC2)C1=O
InChIInChI=1S/C11H20N4O2/c1-12(2)15-10(16)8-9(11(15)17)14-6-4-13(3)5-7-14/h9H,4-8H2,1-3H3/p+2/t9-/m1/s1
InChIKeyNNNZIRJXPXJRPZ-SECBINFHSA-P
MW242.32 g/mol
LogP-4.00
Rot. Bonds2

About (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione

(3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione (PubChem CID 7453791) has the molecular formula C11H22N4O2+2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
PubChem CID7453791
Molecular FormulaC11H22N4O2+2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name(3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)C[C@@H]([NH+]2CC[NH+](C)CC2)C1=O
InChIInChI=1S/C11H20N4O2/c1-12(2)15-10(16)8-9(11(15)17)14-6-4-13(3)5-7-14/h9H,4-8H2,1-3H3/p+2/t9-/m1/s1
InChIKeyNNNZIRJXPXJRPZ-SECBINFHSA-P
XLogP-4.00
TPSA49.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-4.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(dimethylamino)-3-methylpyrrolidine-2,5-dione
CID 59681935
(3R)-1-(4-iodophenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 7107917
3-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 4184963
3-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione
CID 5054251
1-(dimethylamino)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 2860202
(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 766908
(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6982522
(3R)-3-[4-(1-adamantyl)piperazine-1,4-diium-1-yl]-1-methylpyrrolidine-2,5-dione
CID 7288905
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996
(3R)-1-(dimethylamino)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 789739
(3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-propylpyrrolidine-2,5-dione
CID 7379093
(3S)-1-(dimethylamino)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 872593

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione (CID 7453791) is (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione is CN(C)N1C(=O)C[C@@H]([NH+]2CC[NH+](C)CC2)C1=O.
What is the InChIKey of (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione?
The InChIKey is NNNZIRJXPXJRPZ-SECBINFHSA-P. The full InChI is InChI=1S/C11H20N4O2/c1-12(2)15-10(16)8-9(11(15)17)14-6-4-13(3)5-7-14/h9H,4-8H2,1-3H3/p+2/t9-/m1/s1.
What are the key properties of (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione?
(3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of -4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylamino)-3-(4-methylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7453791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).