1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one

C23H28N2O2 — CID 118207458

IUPAC1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(O)ccc1C1CCN(C2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H28N2O2/c1-17-15-20(26)7-8-21(17)19-9-12-24(13-10-19)22-11-14-25(23(22)27)16-18-5-3-2-4-6-18/h2-8,15,19,22,26H,9-14,16H2,1H3
InChIKeyJOFOAGSZQAGZDV-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.68
Rot. Bonds4

About 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one

1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 118207458) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID118207458
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(O)ccc1C1CCN(C2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H28N2O2/c1-17-15-20(26)7-8-21(17)19-9-12-24(13-10-19)22-11-14-25(23(22)27)16-18-5-3-2-4-6-18/h2-8,15,19,22,26H,9-14,16H2,1H3
InChIKeyJOFOAGSZQAGZDV-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 144885855
(3S)-3-[3-(4-hydroxyphenyl)azetidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207585
(3S)-1-benzyl-3-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 95990981
1-[(4-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
CID 118207484
1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217166
(3R)-3-[(4R)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[(4S)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3S)-3-[(4R)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3S)-3-[(4S)-3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 158109908
(3R)-1-[(3,4-difluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
CID 135305539
3-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129031049
(3R)-3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 163732029
(3R)-3-[3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 118225516
3-[3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 118207575
1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217160

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one (CID 118207458) is 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one is Cc1cc(O)ccc1C1CCN(C2CCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is JOFOAGSZQAGZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-15-20(26)7-8-21(17)19-9-12-24(13-10-19)22-11-14-25(23(22)27)16-18-5-3-2-4-6-18/h2-8,15,19,22,26H,9-14,16H2,1H3.
What are the key properties of 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one?
1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118207458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).