1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione

C13H16N2O3 — CID 117373479

IUPAC1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(CCO)cc2)CC1=O
InChIInChI=1S/C13H16N2O3/c1-14-8-13(18)15(9-12(14)17)11-4-2-10(3-5-11)6-7-16/h2-5,16H,6-9H2,1H3
InChIKeyABDLFLJDKJNJRE-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.03
Rot. Bonds3

About 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione

1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117373479) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117373479
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(CCO)cc2)CC1=O
InChIInChI=1S/C13H16N2O3/c1-14-8-13(18)15(9-12(14)17)11-4-2-10(3-5-11)6-7-16/h2-5,16H,6-9H2,1H3
InChIKeyABDLFLJDKJNJRE-UHFFFAOYSA-N
XLogP0.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-aminopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117407658
4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
CID 117340746
1-[4-[(hydroxyamino)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117375820
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117373475
1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117436102
1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117410325
1-methyl-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine-2,5-dione
CID 117487291
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazinan-2-one
CID 104549227
1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117402030
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione (CID 117373479) is 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccc(CCO)cc2)CC1=O.
What is the InChIKey of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is ABDLFLJDKJNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-8-13(18)15(9-12(14)17)11-4-2-10(3-5-11)6-7-16/h2-5,16H,6-9H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione?
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117373479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).