(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

C19H27N3O3 — CID 51859574

IUPAC(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-13-10-14(2)18(15(3)11-13)22-17(24)12-16(19(22)25)21-6-4-20(5-7-21)8-9-23/h10-11,16,23H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyLVDPVHPXZAMZMQ-MRXNPFEDSA-N
MW345.44 g/mol
LogP0.85
Rot. Bonds4

About (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 51859574) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
PubChem CID51859574
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-13-10-14(2)18(15(3)11-13)22-17(24)12-16(19(22)25)21-6-4-20(5-7-21)8-9-23/h10-11,16,23H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyLVDPVHPXZAMZMQ-MRXNPFEDSA-N
XLogP0.85
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826730
ethyl 4-[(3R)-2,5-dioxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]piperazine-1-carboxylate
CID 51859546
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
1-(4-ethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 43844144
1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2840525
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 93235137
(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 978676
(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 1023406
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2110216
3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 14181830
3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826728
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2652727

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (CID 51859574) is (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is Cc1cc(C)c(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)c(C)c1.
What is the InChIKey of (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is LVDPVHPXZAMZMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-10-14(2)18(15(3)11-13)22-17(24)12-16(19(22)25)21-6-4-20(5-7-21)8-9-23/h10-11,16,23H,4-9,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 345.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51859574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).