(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C21H26N4O2S — CID 39977915

IUPAC(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1cccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1
InChIInChI=1S/C21H26N4O2S/c1-15(2)16-4-3-5-18(12-16)25-14-17(13-19(25)26)20(27)23-7-9-24(10-8-23)21-22-6-11-28-21/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyITNOMWRRXPXDHN-QGZVFWFLSA-N
MW398.53 g/mol
LogP2.97
Rot. Bonds4

About (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 39977915) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID39977915
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1cccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1
InChIInChI=1S/C21H26N4O2S/c1-15(2)16-4-3-5-18(12-16)25-14-17(13-19(25)26)20(27)23-7-9-24(10-8-23)21-22-6-11-28-21/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyITNOMWRRXPXDHN-QGZVFWFLSA-N
XLogP2.97
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42930463
3-methyl-2-[4-[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile
CID 56586169
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one
CID 172655760
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 55587877
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131902488
1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 55556179
1-(3-bromophenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336448

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 39977915) is (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is CC(C)c1cccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1.
What is the InChIKey of (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ITNOMWRRXPXDHN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15(2)16-4-3-5-18(12-16)25-14-17(13-19(25)26)20(27)23-7-9-24(10-8-23)21-22-6-11-28-21/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 398.53 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 39977915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).