(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione

C15H24N4O3 — CID 877553

IUPAC(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@H](N2CCN(CC(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C15H24N4O3/c1-16-13(20)10-12(15(16)22)18-8-6-17(7-9-18)11-14(21)19-4-2-3-5-19/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyXDUVLFPWZYIVFC-LBPRGKRZSA-N
MW308.38 g/mol
LogP-1.02
Rot. Bonds3

About (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 877553) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID877553
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@H](N2CCN(CC(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C15H24N4O3/c1-16-13(20)10-12(15(16)22)18-8-6-17(7-9-18)11-14(21)19-4-2-3-5-19/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyXDUVLFPWZYIVFC-LBPRGKRZSA-N
XLogP-1.02
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723652
N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 110748231
1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723679
1-(4-ethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2850421
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55373623
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
3-(3,4-dihydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358283
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 877553) is (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is CN1C(=O)C[C@H](N2CCN(CC(=O)N3CCCC3)CC2)C1=O.
What is the InChIKey of (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is XDUVLFPWZYIVFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-16-13(20)10-12(15(16)22)18-8-6-17(7-9-18)11-14(21)19-4-2-3-5-19/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of -1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 877553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).