(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C23H28N2O2 — CID 118207476

IUPAC(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@@H](N2CCC(c3ccc(O)cc3)CC2)C1=O
InChIInChI=1S/C23H28N2O2/c1-17(18-5-3-2-4-6-18)25-16-13-22(23(25)27)24-14-11-20(12-15-24)19-7-9-21(26)10-8-19/h2-10,17,20,22,26H,11-16H2,1H3/t17-,22+/m0/s1
InChIKeyWKOQGHBYQWAKIH-HTAPYJJXSA-N
MW364.49 g/mol
LogP3.93
Rot. Bonds4

About (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 118207476) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID118207476
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@@H](N2CCC(c3ccc(O)cc3)CC2)C1=O
InChIInChI=1S/C23H28N2O2/c1-17(18-5-3-2-4-6-18)25-16-13-22(23(25)27)24-14-11-20(12-15-24)19-7-9-21(26)10-8-19/h2-10,17,20,22,26H,11-16H2,1H3/t17-,22+/m0/s1
InChIKeyWKOQGHBYQWAKIH-HTAPYJJXSA-N
XLogP3.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11682682
Tyr-Pro-Phe-D-Val-Bn
CID 44555371
2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
CID 44336001
(3S,6S)-3,6-Bis-(4-Hydroxy-Benzyl)-1,4-Dimethyl-Piperazine-2,5-Dione
CID 10473315
H-Dmt-Tic-NH2
CID 10090388
1-[(3S,7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]ethanone
CID 16094393
(3R)-3-[(3S,4S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 91820646
(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207324
(3R)-3-[(3R,4R)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207398
(3R)-1-[(4-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118207404
(3R)-3-[(3R,4S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207523
(R)-3-((3S,4R)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl)-1-(4-methylbenzyl)pyrrolidin-2-one
CID 118207538

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 118207476) is (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C[C@@H](c1ccccc1)N1CC[C@@H](N2CCC(c3ccc(O)cc3)CC2)C1=O.
What is the InChIKey of (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is WKOQGHBYQWAKIH-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(18-5-3-2-4-6-18)25-16-13-22(23(25)27)24-14-11-20(12-15-24)19-7-9-21(26)10-8-19/h2-10,17,20,22,26H,11-16H2,1H3/t17-,22+/m0/s1.
What are the key properties of (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 118207476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).