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

C18H24N4O4 — CID 92765368

IUPAC(3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)C(=O)N1C1CC1
InChIInChI=1S/C18H24N4O4/c23-15-9-13(17(25)21(15)11-1-2-11)19-5-7-20(8-6-19)14-10-16(24)22(18(14)26)12-3-4-12/h11-14H,1-10H2/t13-,14-/m1/s1
InChIKeyWMGBJAVDNOFWOD-ZIAGYGMSSA-N
MW360.41 g/mol
LogP-0.82
Rot. Bonds4

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

(3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 92765368) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID92765368
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)C(=O)N1C1CC1
InChIInChI=1S/C18H24N4O4/c23-15-9-13(17(25)21(15)11-1-2-11)19-5-7-20(8-6-19)14-10-16(24)22(18(14)26)12-3-4-12/h11-14H,1-10H2/t13-,14-/m1/s1
InChIKeyWMGBJAVDNOFWOD-ZIAGYGMSSA-N
XLogP-0.82
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 92765368) is (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)C(=O)N1C1CC1.
What is the InChIKey of (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is WMGBJAVDNOFWOD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-15-9-13(17(25)21(15)11-1-2-11)19-5-7-20(8-6-19)14-10-16(24)22(18(14)26)12-3-4-12/h11-14H,1-10H2/t13-,14-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 360.41 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-3-[4-[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 92765368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).