3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C23H31N3O3 — CID 123790656

IUPAC3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(CC(=O)N2CCC(c3ccc(N4CCCCC4)cc3)CC2)CC(=O)NC1=O
InChIInChI=1S/C23H31N3O3/c1-23(15-20(27)24-22(23)29)16-21(28)26-13-9-18(10-14-26)17-5-7-19(8-6-17)25-11-3-2-4-12-25/h5-8,18H,2-4,9-16H2,1H3,(H,24,27,29)
InChIKeyQERYNWJFOJPWKN-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.83
Rot. Bonds4

About 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 123790656) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID123790656
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(CC(=O)N2CCC(c3ccc(N4CCCCC4)cc3)CC2)CC(=O)NC1=O
InChIInChI=1S/C23H31N3O3/c1-23(15-20(27)24-22(23)29)16-21(28)26-13-9-18(10-14-26)17-5-7-19(8-6-17)25-11-3-2-4-12-25/h5-8,18H,2-4,9-16H2,1H3,(H,24,27,29)
InChIKeyQERYNWJFOJPWKN-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 123790656) is 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is CC1(CC(=O)N2CCC(c3ccc(N4CCCCC4)cc3)CC2)CC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is QERYNWJFOJPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-23(15-20(27)24-22(23)29)16-21(28)26-13-9-18(10-14-26)17-5-7-19(8-6-17)25-11-3-2-4-12-25/h5-8,18H,2-4,9-16H2,1H3,(H,24,27,29).
What are the key properties of 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 397.52 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-oxo-2-[4-(4-piperidin-1-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 123790656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).