6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione

C23H22N2O3 — CID 73319664

IUPAC6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccc(O)cc2)N(CCc2cccc3ccccc23)C1=O
InChIInChI=1S/C23H22N2O3/c26-20-10-8-16(9-11-20)14-19-15-24-22(27)23(28)25(19)13-12-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,19,26H,12-15H2,(H,24,27)
InChIKeyJDNSDTOPXLFFFM-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.66
Rot. Bonds5

About 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione

6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione (PubChem CID 73319664) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
PubChem CID73319664
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
SMILESO=C1NCC(Cc2ccc(O)cc2)N(CCc2cccc3ccccc23)C1=O
InChIInChI=1S/C23H22N2O3/c26-20-10-8-16(9-11-20)14-19-15-24-22(27)23(28)25(19)13-12-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,19,26H,12-15H2,(H,24,27)
InChIKeyJDNSDTOPXLFFFM-UHFFFAOYSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 73319655
(6R)-6-(1-hydroxyethyl)-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione
CID 16745905
(5S)-5-benzyl-1-[4-[(2R)-5,6-dioxo-1-(2-phenylethyl)piperazin-2-yl]butyl]-4-[2-(4-hydroxyphenyl)ethyl]piperazine-2,3-dione
CID 53301749
(5S)-4-benzyl-1-[4-[(2R)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53301817
(5S)-4-(2-cyclohexylethyl)-1-[4-[(2S)-1-[2-(4-hydroxyphenyl)ethyl]-5,6-dioxopiperazin-2-yl]butyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53300322
1-[4-[(2R)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-4-[2-(4-hydroxyphenyl)ethyl]piperazine-2,3-dione
CID 53301819
(5S)-1-[4-[(2S)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-4-[2-(4-hydroxyphenyl)ethyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53299710
(5S)-1-[(2S)-1-[(2S)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-4-[2-(4-ethoxyphenyl)ethyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53300395
(4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 157295509
(5R)-4-(cyclohexylmethyl)-1-[(1R)-3-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]-1-naphthalen-2-ylpropyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 122203646
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
The IUPAC name of 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione (CID 73319664) is 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione.
What is the SMILES notation for 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
The canonical SMILES for 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione is O=C1NCC(Cc2ccc(O)cc2)N(CCc2cccc3ccccc23)C1=O.
What is the InChIKey of 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
The InChIKey is JDNSDTOPXLFFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-20-10-8-16(9-11-20)14-19-15-24-22(27)23(28)25(19)13-12-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,19,26H,12-15H2,(H,24,27).
What are the key properties of 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione?
6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione has a molecular weight of 374.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperazine-2,3-dione is sourced from PubChem (CID 73319664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).