(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

C27H27N3O3S — CID 42278222

IUPAC(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@](CC(=O)N2CCCC[C@H]2c2ccccn2)(c2ccccc2)C(=O)N1Cc1cccs1
InChIInChI=1S/C27H27N3O3S/c31-24(29-15-7-5-13-23(29)22-12-4-6-14-28-22)17-27(20-9-2-1-3-10-20)18-25(32)30(26(27)33)19-21-11-8-16-34-21/h1-4,6,8-12,14,16,23H,5,7,13,15,17-19H2/t23-,27+/m0/s1
InChIKeyFPTDTQPCNRKGFL-WNCULLNHSA-N
MW473.60 g/mol
LogP4.48
Rot. Bonds6

About (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 42278222) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID42278222
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@](CC(=O)N2CCCC[C@H]2c2ccccn2)(c2ccccc2)C(=O)N1Cc1cccs1
InChIInChI=1S/C27H27N3O3S/c31-24(29-15-7-5-13-23(29)22-12-4-6-14-28-22)17-27(20-9-2-1-3-10-20)18-25(32)30(26(27)33)19-21-11-8-16-34-21/h1-4,6,8-12,14,16,23H,5,7,13,15,17-19H2/t23-,27+/m0/s1
InChIKeyFPTDTQPCNRKGFL-WNCULLNHSA-N
XLogP4.48
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

(3R)-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42318183
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 45174758
(3R)-3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42437414
(3R)-3-[2-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 42483374
(3R)-3-[2-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 125161574
(3S)-3-(3-fluorophenyl)-3-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 42379947
2-[(3S)-2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42538014
1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45165812
(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 51901271
(3S)-3-[2-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 42429801
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45181207
(3S)-1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125167940

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (CID 42278222) is (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is O=C1C[C@](CC(=O)N2CCCC[C@H]2c2ccccn2)(c2ccccc2)C(=O)N1Cc1cccs1.
What is the InChIKey of (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is FPTDTQPCNRKGFL-WNCULLNHSA-N. The full InChI is InChI=1S/C27H27N3O3S/c31-24(29-15-7-5-13-23(29)22-12-4-6-14-28-22)17-27(20-9-2-1-3-10-20)18-25(32)30(26(27)33)19-21-11-8-16-34-21/h1-4,6,8-12,14,16,23H,5,7,13,15,17-19H2/t23-,27+/m0/s1.
What are the key properties of (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 473.60 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 42278222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).