(5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C17H19N3O2S — CID 9234582

IUPAC(5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)N1
InChIInChI=1S/C17H19N3O2S/c21-15-8-7-13(18-15)17(22)20-9-3-4-11(10-20)16-19-12-5-1-2-6-14(12)23-16/h1-2,5-6,11,13H,3-4,7-10H2,(H,18,21)/t11-,13-/m1/s1
InChIKeyHJFVRJFFUPXDLO-DGCLKSJQSA-N
MW329.42 g/mol
LogP2.28
Rot. Bonds2

About (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9234582) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID9234582
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name(5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)N1
InChIInChI=1S/C17H19N3O2S/c21-15-8-7-13(18-15)17(22)20-9-3-4-11(10-20)16-19-12-5-1-2-6-14(12)23-16/h1-2,5-6,11,13H,3-4,7-10H2,(H,18,21)/t11-,13-/m1/s1
InChIKeyHJFVRJFFUPXDLO-DGCLKSJQSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 26002541
1-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 9429290
4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 9223935
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 9233059
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 42907207
1-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9235019
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pentane-1,4-dione
CID 9235219
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 16857587
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9224009
(2R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 39713582
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 40804818
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 9235459

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 9234582) is (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)N1.
What is the InChIKey of (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HJFVRJFFUPXDLO-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-15-8-7-13(18-15)17(22)20-9-3-4-11(10-20)16-19-12-5-1-2-6-14(12)23-16/h1-2,5-6,11,13H,3-4,7-10H2,(H,18,21)/t11-,13-/m1/s1.
What are the key properties of (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 329.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9234582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).