1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one

C22H23N3O2S — CID 70735507

IUPAC1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CC(C)N(Cc3cnc(-c4ccccc4)s3)CC2=O)c1
InChIInChI=1S/C22H23N3O2S/c1-16-13-25(18-9-6-10-19(11-18)27-2)21(26)15-24(16)14-20-12-23-22(28-20)17-7-4-3-5-8-17/h3-12,16H,13-15H2,1-2H3
InChIKeyZMTHYWVHBPUEIN-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.06
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one

1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one (PubChem CID 70735507) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
PubChem CID70735507
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CC(C)N(Cc3cnc(-c4ccccc4)s3)CC2=O)c1
InChIInChI=1S/C22H23N3O2S/c1-16-13-25(18-9-6-10-19(11-18)27-2)21(26)15-24(16)14-20-12-23-22(28-20)17-7-4-3-5-8-17/h3-12,16H,13-15H2,1-2H3
InChIKeyZMTHYWVHBPUEIN-UHFFFAOYSA-N
XLogP4.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 97110267
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one
CID 70767727
2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
CID 97113526
(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96576993
1-[(1R,5S)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
CID 56901845
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917459
(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041
(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042
(5S)-4-butylsulfonyl-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 126446828
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one (CID 70735507) is 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one is COc1cccc(N2CC(C)N(Cc3cnc(-c4ccccc4)s3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is ZMTHYWVHBPUEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16-13-25(18-9-6-10-19(11-18)27-2)21(26)15-24(16)14-20-12-23-22(28-20)17-7-4-3-5-8-17/h3-12,16H,13-15H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one?
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 393.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 70735507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).