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

C22H26N2O3 — CID 118207347

IUPAC1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1
InChIInChI=1S/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2
InChIKeyHEZHOLUAZMQEBN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.08
Rot. Bonds4

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

1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 118207347) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID118207347
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1
InChIInChI=1S/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2
InChIKeyHEZHOLUAZMQEBN-UHFFFAOYSA-N
XLogP3.08
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S)-3,6-Bis-(4-Hydroxy-Benzyl)-1,4-Dimethyl-Piperazine-2,5-Dione
CID 10473315
(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
(3R)-3-[(3S,4S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 118217204
(3R)-3-[3,3-difluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118217208
N-benzyl-2-hydroxy-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
CID 67183718
3-[2-(Dimethylamino)ethyl]-8-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164353
3-Ethyl-8-[(2-hydroxy-5-phenylphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 122185498

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one (CID 118207347) is 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one is O=C1C(N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is HEZHOLUAZMQEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-19-5-1-16(2-6-19)15-24-14-11-21(22(24)27)23-12-9-18(10-13-23)17-3-7-20(26)8-4-17/h1-8,18,21,25-26H,9-15H2.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118207347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).