(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione

C22H26N2O3 — CID 165423642

IUPAC(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCc1ccccc1OCCN1C(=O)CN(Cc2ccccc2)C(=O)[C@H]1C
InChIInChI=1S/C22H26N2O3/c1-3-19-11-7-8-12-20(19)27-14-13-24-17(2)22(26)23(16-21(24)25)15-18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3/t17-/m1/s1
InChIKeyHVMHTKDBPTWAQF-QGZVFWFLSA-N
MW366.46 g/mol
LogP2.89
Rot. Bonds7

About (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione

(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 165423642) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID165423642
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCc1ccccc1OCCN1C(=O)CN(Cc2ccccc2)C(=O)[C@H]1C
InChIInChI=1S/C22H26N2O3/c1-3-19-11-7-8-12-20(19)27-14-13-24-17(2)22(26)23(16-21(24)25)15-18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3/t17-/m1/s1
InChIKeyHVMHTKDBPTWAQF-QGZVFWFLSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-4-[2-(2,4-dimethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165425878
(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165418850
(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165423395
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione (CID 165423642) is (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione is CCc1ccccc1OCCN1C(=O)CN(Cc2ccccc2)C(=O)[C@H]1C.
What is the InChIKey of (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is HVMHTKDBPTWAQF-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-19-11-7-8-12-20(19)27-14-13-24-17(2)22(26)23(16-21(24)25)15-18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione?
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 165423642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).