1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one

C28H26N2OS — CID 69080987

IUPAC1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one
SMILESCc1nc(-c2cccc(CN3C(=O)CCCC3c3ccccc3-c3ccccc3)c2)cs1
InChIInChI=1S/C28H26N2OS/c1-20-29-26(19-32-20)23-12-7-9-21(17-23)18-30-27(15-8-16-28(30)31)25-14-6-5-13-24(25)22-10-3-2-4-11-22/h2-7,9-14,17,19,27H,8,15-16,18H2,1H3
InChIKeyWVSKYWXOXWNTGX-UHFFFAOYSA-N
MW438.60 g/mol
LogP7.04
Rot. Bonds5

About 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one

1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one (PubChem CID 69080987) has the molecular formula C28H26N2OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one
PubChem CID69080987
Molecular FormulaC28H26N2OS
Molecular Weight438.60 g/mol
Exact Mass438.18
IUPAC Name1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one
SMILESCc1nc(-c2cccc(CN3C(=O)CCCC3c3ccccc3-c3ccccc3)c2)cs1
InChIInChI=1S/C28H26N2OS/c1-20-29-26(19-32-20)23-12-7-9-21(17-23)18-30-27(15-8-16-28(30)31)25-14-6-5-13-24(25)22-10-3-2-4-11-22/h2-7,9-14,17,19,27H,8,15-16,18H2,1H3
InChIKeyWVSKYWXOXWNTGX-UHFFFAOYSA-N
XLogP7.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one with MolForge

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Related Compounds

N-{(1s)-1-Cyclohexyl-2-[(2s)-2-(4-Naphthalen-1-Yl-1,3-Thiazol-2-Yl)pyrrolidin-1-Yl]-2-Oxoethyl}-N~2~-Methyl-L-Alaninamide
CID 44820626
3,4-dimethyl-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7287435
(R)-4-methyl-2-[3''-(2-piperazin-1-ylmethyl-thiazol-4-yl)-biphenyl-3-yl]-pentanoic acid cyanomethyl-amide
CID 44414992
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78791766
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2-methylthiazol-4-yl)phenyl]ethane-1,2-dione
CID 24996346
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
5-([1,1'-Biphenyl]-2-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69080124
5-([1,1'-Biphenyl]-2-yl)-1-((2-phenylthiazol-4-yl)methyl)pyrrolidin-2-one
CID 69081902
5-([1,1'-Biphenyl]-2-yl)-3-methyl-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69083752
7-([1,1'-Biphenyl]-2-yl)-1-(3-(thiazol-2-yl)benzyl)azepan-2-one
CID 69084584
1-(3-(Thiazol-2-yl)benzyl)-7-(2-(thiazol-4-yl)phenyl)azepan-2-one
CID 69085360
3-[2-[acetamido(phenyl)methyl]-1,3-thiazol-4-yl]-N,N-diethylbenzamide
CID 49795579

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one?
The IUPAC name of 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one (CID 69080987) is 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one.
What is the SMILES notation for 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one?
The canonical SMILES for 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one is Cc1nc(-c2cccc(CN3C(=O)CCCC3c3ccccc3-c3ccccc3)c2)cs1.
What is the InChIKey of 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one?
The InChIKey is WVSKYWXOXWNTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2OS/c1-20-29-26(19-32-20)23-12-7-9-21(17-23)18-30-27(15-8-16-28(30)31)25-14-6-5-13-24(25)22-10-3-2-4-11-22/h2-7,9-14,17,19,27H,8,15-16,18H2,1H3.
What are the key properties of 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one?
1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one has a molecular weight of 438.60 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-6-(2-phenylphenyl)piperidin-2-one is sourced from PubChem (CID 69080987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).