1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

C18H18N2O3 — CID 59324773

IUPAC1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C(Cc2ccc(O)cc2)N1
InChIInChI=1S/C18H18N2O3/c21-15-8-6-13(7-9-15)10-16-18(23)20(12-17(22)19-16)11-14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,19,22)
InChIKeyNYHSUAYOXNSVCQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.46
Rot. Bonds4

About 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 59324773) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
PubChem CID59324773
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C(Cc2ccc(O)cc2)N1
InChIInChI=1S/C18H18N2O3/c21-15-8-6-13(7-9-15)10-16-18(23)20(12-17(22)19-16)11-14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,19,22)
InChIKeyNYHSUAYOXNSVCQ-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione
CID 66825008
1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 146160440
benzyl 3-(4-benzyl-3,6-dioxopiperazin-2-yl)propanoate
CID 123664935
1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
CID 20794518
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
trans-(3S,6S)-1-(4-aminobutyl)-3,6,13-tribenzyl-10,16-bis[(4-chlorophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 171118547
3-benzyl-1-hex-5-ynylpiperazine-2,5-dione
CID 106210867
3-benzyl-1-cyclobutylpiperazine-2,5-dione
CID 64969345
(3S)-1-benzyl-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperazine-2,5-dione
CID 144921221
1-[(4-chlorophenyl)methyl]-3-ethylpiperazine-2,5-dione
CID 64879991
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione (CID 59324773) is 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione is O=C1CN(Cc2ccccc2)C(=O)C(Cc2ccc(O)cc2)N1.
What is the InChIKey of 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is NYHSUAYOXNSVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-15-8-6-13(7-9-15)10-16-18(23)20(12-17(22)19-16)11-14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,19,22).
What are the key properties of 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione?
1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 310.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 59324773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).