(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

C19H26N2O3 — CID 40771838

IUPAC(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)c1
InChIInChI=1S/C19H26N2O3/c1-13-6-7-14(2)16(11-13)21-18(23)12-17(19(21)24)20-9-4-3-5-15(20)8-10-22/h6-7,11,15,17,22H,3-5,8-10,12H2,1-2H3/t15-,17-/m1/s1
InChIKeyUKAGDEVGHWVEEA-NVXWUHKLSA-N
MW330.43 g/mol
LogP2.17
Rot. Bonds4

About (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 40771838) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID40771838
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)c1
InChIInChI=1S/C19H26N2O3/c1-13-6-7-14(2)16(11-13)21-18(23)12-17(19(21)24)20-9-4-3-5-15(20)8-10-22/h6-7,11,15,17,22H,3-5,8-10,12H2,1-2H3/t15-,17-/m1/s1
InChIKeyUKAGDEVGHWVEEA-NVXWUHKLSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(2,5-dimethylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124833973
(3R)-1-(5-chloro-2-methylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124542459
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 4894678
1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17324587
(3R)-1-(2,5-dichlorophenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 27520218
(3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7376153
1-(3,4-difluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 17228705
(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 6354366
(3S)-1-(4-acetylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7353385
2-[1-(2,5-dimethylphenyl)piperidin-4-yl]ethanol
CID 117003508
2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid
CID 62514460
5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 43861105

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 40771838) is (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)c1.
What is the InChIKey of (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is UKAGDEVGHWVEEA-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-6-7-14(2)16(11-13)21-18(23)12-17(19(21)24)20-9-4-3-5-15(20)8-10-22/h6-7,11,15,17,22H,3-5,8-10,12H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 330.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 40771838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).