(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione

C24H28N2O2 — CID 1356764

IUPAC(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23-18-22(24(28)26(23)16-13-19-7-3-1-4-8-19)25-14-11-21(12-15-25)17-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2/t22-/m0/s1
InChIKeyBPJBGGYFMIDYPX-QFIPXVFZSA-N
MW376.50 g/mol
LogP3.31
Rot. Bonds6

About (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione

(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 1356764) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID1356764
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23-18-22(24(28)26(23)16-13-19-7-3-1-4-8-19)25-14-11-21(12-15-25)17-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2/t22-/m0/s1
InChIKeyBPJBGGYFMIDYPX-QFIPXVFZSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione
CID 4228098
(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 7372056
3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 2851208
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
CID 43794813
2-[4-[3-(4-benzylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43861089
1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884731
(3R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 41080963
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
methyl 1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 51613197
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 1356764) is (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione is O=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1.
What is the InChIKey of (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is BPJBGGYFMIDYPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23-18-22(24(28)26(23)16-13-19-7-3-1-4-8-19)25-14-11-21(12-15-25)17-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2/t22-/m0/s1.
What are the key properties of (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 376.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1356764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).