(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C16H23N3O2S — CID 95770198

IUPAC(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O
InChIInChI=1S/C16H23N3O2S/c1-11(2)19-10-12(9-14(19)20)16(21)18-7-4-3-5-13(18)15-17-6-8-22-15/h6,8,11-13H,3-5,7,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyVLZMAWYHHFQRMU-STQMWFEESA-N
MW321.45 g/mol
LogP2.45
Rot. Bonds3

About (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95770198) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95770198
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O
InChIInChI=1S/C16H23N3O2S/c1-11(2)19-10-12(9-14(19)20)16(21)18-7-4-3-5-13(18)15-17-6-8-22-15/h6,8,11-13H,3-5,7,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyVLZMAWYHHFQRMU-STQMWFEESA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[(2R)-2-methylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400779
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131942046
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761185
2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010093

Frequently Asked Questions

What is the IUPAC name of (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95770198) is (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CC(C)N1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O.
What is the InChIKey of (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VLZMAWYHHFQRMU-STQMWFEESA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(2)19-10-12(9-14(19)20)16(21)18-7-4-3-5-13(18)15-17-6-8-22-15/h6,8,11-13H,3-5,7,9-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 321.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95770198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).