3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione

C9H15N3O2 — CID 62673003

IUPAC3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CNCCN1C1CC(=O)NC1=O
InChIInChI=1S/C9H15N3O2/c1-6-5-10-2-3-12(6)7-4-8(13)11-9(7)14/h6-7,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyBATJPGMYTRAHDS-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.30
Rot. Bonds1

About 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione

3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 62673003) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID62673003
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CNCCN1C1CC(=O)NC1=O
InChIInChI=1S/C9H15N3O2/c1-6-5-10-2-3-12(6)7-4-8(13)11-9(7)14/h6-7,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyBATJPGMYTRAHDS-UHFFFAOYSA-N
XLogP-1.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[(2S)-2-methylpiperazin-1-yl]isoindole-1,3-dione
CID 171158274
3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 69258410
3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 104976660
1-iodo-2-methylpiperazine
CID 154534640
3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 23170957
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573
(3S)-3-(azepan-1-yl)pyrrolidine-2,5-dione
CID 98139557
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
(2S)-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 130678144
3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
CID 171397543
(5S)-5-[(2R)-2-methylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 94545844

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 62673003) is 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione is CC1CNCCN1C1CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is BATJPGMYTRAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-5-10-2-3-12(6)7-4-8(13)11-9(7)14/h6-7,10H,2-5H2,1H3,(H,11,13,14).
What are the key properties of 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 197.24 g/mol, XLogP of -1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 62673003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).