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

C22H26N2O3 — CID 165423395

IUPAC(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
SMILESCCc1ccccc1OCCN1C(=O)CN(C)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-3-18-11-7-8-12-20(18)27-14-13-24-19(15-17-9-5-4-6-10-17)22(26)23(2)16-21(24)25/h4-12,19H,3,13-16H2,1-2H3/t19-/m1/s1
InChIKeyLCUDHZWEOZRXFV-LJQANCHMSA-N
MW366.46 g/mol
LogP2.54
Rot. Bonds7

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

(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione (PubChem CID 165423395) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
PubChem CID165423395
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
SMILESCCc1ccccc1OCCN1C(=O)CN(C)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-3-18-11-7-8-12-20(18)27-14-13-24-19(15-17-9-5-4-6-10-17)22(26)23(2)16-21(24)25/h4-12,19H,3,13-16H2,1-2H3/t19-/m1/s1
InChIKeyLCUDHZWEOZRXFV-LJQANCHMSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-benzyl-4-[2-(2-ethoxyphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165422735
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
(3S)-3-benzyl-4-[(3-methoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165422175
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 164699341
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 165417477
(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione
CID 165426950
(3S)-1-benzyl-4-[2-(2,4-dimethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165425878
(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione
CID 165420025
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
(3R)-3-benzyl-1-(2-methoxyethyl)-4-(2-phenylmethoxyethyl)piperazine-2,5-dione;formic acid
CID 166598382

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione (CID 165423395) is (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione is CCc1ccccc1OCCN1C(=O)CN(C)C(=O)[C@H]1Cc1ccccc1.
What is the InChIKey of (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione?
The InChIKey is LCUDHZWEOZRXFV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-18-11-7-8-12-20(18)27-14-13-24-19(15-17-9-5-4-6-10-17)22(26)23(2)16-21(24)25/h4-12,19H,3,13-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione?
(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 165423395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).