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

C18H21N3O3S — CID 70769325

IUPAC1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3scnc3C)CC2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-16(25-12-19-13)7-8-17(22)20-9-10-21(18(23)11-20)14-3-5-15(24-2)6-4-14/h3-6,12H,7-11H2,1-2H3
InChIKeyDVKYRMDFPHCJTP-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.27
Rot. Bonds5

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

1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one (PubChem CID 70769325) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
PubChem CID70769325
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)CCc3scnc3C)CC2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-16(25-12-19-13)7-8-17(22)20-9-10-21(18(23)11-20)14-3-5-15(24-2)6-4-14/h3-6,12H,7-11H2,1-2H3
InChIKeyDVKYRMDFPHCJTP-UHFFFAOYSA-N
XLogP2.27
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
CID 70722598
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 91775333
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70786598
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 70745268
1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70787803
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one (CID 70769325) is 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one is COc1ccc(N2CCN(C(=O)CCc3scnc3C)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one?
The InChIKey is DVKYRMDFPHCJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-16(25-12-19-13)7-8-17(22)20-9-10-21(18(23)11-20)14-3-5-15(24-2)6-4-14/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one?
1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one has a molecular weight of 359.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 70769325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).