(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione

C18H25N3O5 — CID 93235137

IUPAC(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)c(OC)c1
InChIInChI=1S/C18H25N3O5/c1-25-13-3-4-14(16(11-13)26-2)21-17(23)12-15(18(21)24)20-7-5-19(6-8-20)9-10-22/h3-4,11,15,22H,5-10,12H2,1-2H3/t15-/m0/s1
InChIKeySNTLUFJEEVLWSK-HNNXBMFYSA-N
MW363.41 g/mol
LogP-0.05
Rot. Bonds6

About (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 93235137) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID93235137
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)c(OC)c1
InChIInChI=1S/C18H25N3O5/c1-25-13-3-4-14(16(11-13)26-2)21-17(23)12-15(18(21)24)20-7-5-19(6-8-20)9-10-22/h3-4,11,15,22H,5-10,12H2,1-2H3/t15-/m0/s1
InChIKeySNTLUFJEEVLWSK-HNNXBMFYSA-N
XLogP-0.05
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(2,4-dimethoxyphenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 30671192
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
CID 43826730
1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2840525
ethyl (3S)-1-[(3S)-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 124833219
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
(3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51859574
1-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 3729955
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 98395197
1-(4-ethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 43844144
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3S)-1-(2,4-dimethoxyphenyl)-3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 51722573
ethyl 1-[(3S)-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 29101454

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 93235137) is (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)c(OC)c1.
What is the InChIKey of (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is SNTLUFJEEVLWSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-25-13-3-4-14(16(11-13)26-2)21-17(23)12-15(18(21)24)20-7-5-19(6-8-20)9-10-22/h3-4,11,15,22H,5-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 363.41 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 93235137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).