(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C21H25ClN2O4 — CID 42317641

IUPAC(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1
InChIInChI=1S/C21H25ClN2O4/c1-3-17(25)14-7-6-10-24(13-14)19(27)12-21(11-18(26)23(2)20(21)28)15-8-4-5-9-16(15)22/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/t14-,21-/m0/s1
InChIKeyUBLIBZCGAOXKBX-QKKBWIMNSA-N
MW404.89 g/mol
LogP2.57
Rot. Bonds5

About (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione

(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 42317641) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID42317641
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1
InChIInChI=1S/C21H25ClN2O4/c1-3-17(25)14-7-6-10-24(13-14)19(27)12-21(11-18(26)23(2)20(21)28)15-8-4-5-9-16(15)22/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/t14-,21-/m0/s1
InChIKeyUBLIBZCGAOXKBX-QKKBWIMNSA-N
XLogP2.57
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-1-methyl-3-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45166152
3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45183466
(3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125159436
ethyl (3S)-1-[2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-3-carboxylate
CID 42343832
3-(2-methoxyphenyl)-1-methyl-3-[2-oxo-2-[3-(3-phenylpropanoyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45209718
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42192322
(3S)-3-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462765
(3R)-3-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 42462732
(3R)-1-methyl-3-[2-[(3S)-3-(3-methylbutanoyl)piperidin-1-yl]-2-oxoethyl]-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42168052
ethyl (2S)-1-[2-[(3S)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
CID 26338327
(3S)-3-(2-methoxyphenyl)-3-[2-[(3R)-3-methoxypiperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42377384
(3S)-3-[2-(azepan-1-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,5-dione
CID 42163290

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 42317641) is (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione is CCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is UBLIBZCGAOXKBX-QKKBWIMNSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-3-17(25)14-7-6-10-24(13-14)19(27)12-21(11-18(26)23(2)20(21)28)15-8-4-5-9-16(15)22/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/t14-,21-/m0/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 404.89 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42317641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).