1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

C14H19N3O2S — CID 95761166

IUPAC1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C14H19N3O2S/c18-12-4-2-7-17(12)10-13(19)16-6-1-3-11(9-16)14-15-5-8-20-14/h5,8,11H,1-4,6-7,9-10H2/t11-/m1/s1
InChIKeyINSMSWZAHNUTMH-LLVKDONJSA-N
MW293.39 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 95761166) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID95761166
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C14H19N3O2S/c18-12-4-2-7-17(12)10-13(19)16-6-1-3-11(9-16)14-15-5-8-20-14/h5,8,11H,1-4,6-7,9-10H2/t11-/m1/s1
InChIKeyINSMSWZAHNUTMH-LLVKDONJSA-N
XLogP1.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95768027
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 86768420
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
2-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95178650
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
1-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127247469
1-[2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97275691
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 95761166) is 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC[C@@H](c2nccs2)C1.
What is the InChIKey of 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is INSMSWZAHNUTMH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-12-4-2-7-17(12)10-13(19)16-6-1-3-11(9-16)14-15-5-8-20-14/h5,8,11H,1-4,6-7,9-10H2/t11-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 293.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 95761166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).