(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione

C22H24N2O3 — CID 7358060

IUPAC(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](N3CCC(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-27-19-9-7-18(8-10-19)24-21(25)15-20(22(24)26)23-13-11-17(12-14-23)16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3/t20-/m0/s1
InChIKeyQGZJGYOSEXKGFB-FQEVSTJZSA-N
MW364.44 g/mol
LogP3.21
Rot. Bonds4

About (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione

(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 7358060) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID7358060
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](N3CCC(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-27-19-9-7-18(8-10-19)24-21(25)15-20(22(24)26)23-13-11-17(12-14-23)16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3/t20-/m0/s1
InChIKeyQGZJGYOSEXKGFB-FQEVSTJZSA-N
XLogP3.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
3-(4-benzhydrylpiperazin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2849630
1-(4-methoxyphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2732615
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358160
(3S)-3-(4-methylpiperazin-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 1078963
(3S)-1-(4-methoxyphenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 98345869
(3R)-3-[4-(4-benzoylphenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 41242699
(3R)-1-(4-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1258456

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 7358060) is (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@H](N3CCC(c4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is QGZJGYOSEXKGFB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-19-9-7-18(8-10-19)24-21(25)15-20(22(24)26)23-13-11-17(12-14-23)16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione?
(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 364.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7358060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).