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

C23H28N2O2 — CID 118207388

IUPAC3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CCC(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-LBOXEOMUSA-N
MW364.49 g/mol
LogP3.93
Rot. Bonds4

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

3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 118207388) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID118207388
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CCC(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-LBOXEOMUSA-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 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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 118207388) is 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C[C@@H](c1ccccc1)N1CCC(N2CCC(c3ccc(O)cc3)CC2)C1=O.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is WKOQGHBYQWAKIH-LBOXEOMUSA-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 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
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 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 118207388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).