1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C26H27N3O2S — CID 123406446

IUPAC1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1-c1ccccc1
InChIInChI=1S/C26H27N3O2S/c1-18-7-8-22(16-23(18)20-5-3-2-4-6-20)29-17-21(15-24(29)30)19-9-12-28(13-10-19)26(31)25-27-11-14-32-25/h2-8,11,14,16,19,21H,9-10,12-13,15,17H2,1H3
InChIKeyQZGLPWDBSOIORL-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.02
Rot. Bonds4

About 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 123406446) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID123406446
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC Name1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1-c1ccccc1
InChIInChI=1S/C26H27N3O2S/c1-18-7-8-22(16-23(18)20-5-3-2-4-6-20)29-17-21(15-24(29)30)19-9-12-28(13-10-19)26(31)25-27-11-14-32-25/h2-8,11,14,16,19,21H,9-10,12-13,15,17H2,1H3
InChIKeyQZGLPWDBSOIORL-UHFFFAOYSA-N
XLogP5.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654222
1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653888
4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]-N-phenylbenzamide
CID 122653867
N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654159
1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654036
N-[4-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654217
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one
CID 122653983
1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 162043739
3-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]benzenesulfonamide
CID 122654004
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 123406446) is 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one is Cc1ccc(N2CC(C3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1-c1ccccc1.
What is the InChIKey of 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is QZGLPWDBSOIORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-18-7-8-22(16-23(18)20-5-3-2-4-6-20)29-17-21(15-24(29)30)19-9-12-28(13-10-19)26(31)25-27-11-14-32-25/h2-8,11,14,16,19,21H,9-10,12-13,15,17H2,1H3.
What are the key properties of 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 445.59 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-phenylphenyl)-4-[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 123406446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).