(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

C16H24N4O4 — CID 1221385

IUPAC(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](N2CCN([C@@H]3CC(=O)N(CC)C3=O)CC2)C1=O
InChIInChI=1S/C16H24N4O4/c1-3-19-13(21)9-11(15(19)23)17-5-7-18(8-6-17)12-10-14(22)20(4-2)16(12)24/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyRSVMZEUEOZGXON-VXGBXAGGSA-N
MW336.39 g/mol
LogP-1.10
Rot. Bonds4

About (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 1221385) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID1221385
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](N2CCN([C@@H]3CC(=O)N(CC)C3=O)CC2)C1=O
InChIInChI=1S/C16H24N4O4/c1-3-19-13(21)9-11(15(19)23)17-5-7-18(8-6-17)12-10-14(22)20(4-2)16(12)24/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyRSVMZEUEOZGXON-VXGBXAGGSA-N
XLogP-1.10
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione
CID 7340873
2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 1258791
(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358164
1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228613
1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 710213
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
3-(1,4-diazepan-1-yl)-1-propylpyrrolidine-2,5-dione
CID 43636514
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
1-[1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311498
(3S)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 7348191
3-[4-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-1-ethylpyrrolidine-2,5-dione
CID 5302084
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 1221385) is (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is CCN1C(=O)C[C@@H](N2CCN([C@@H]3CC(=O)N(CC)C3=O)CC2)C1=O.
What is the InChIKey of (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is RSVMZEUEOZGXON-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-3-19-13(21)9-11(15(19)23)17-5-7-18(8-6-17)12-10-14(22)20(4-2)16(12)24/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 336.39 g/mol, XLogP of -1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1221385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).