[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C20H25N3O4S — CID 46625389

IUPAC[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OC(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-15-14-28-20(26)23(15)9-8-18(24)27-16(2)19(25)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3
InChIKeyOWOBLWKQJCNWMA-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.89
Rot. Bonds6

About [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 46625389) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID46625389
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OC(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-15-14-28-20(26)23(15)9-8-18(24)27-16(2)19(25)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3
InChIKeyOWOBLWKQJCNWMA-UHFFFAOYSA-N
XLogP1.89
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 40704753
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 47011606
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55402839
[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 86863216
butyl 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyloxy]propanoate
CID 56807179
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 55417321
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(4-bromophenoxy)acetate
CID 55419490
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 46624956
[1-(4-nitroanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55386255
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783760
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 47007927
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate
CID 25340897

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 46625389) is [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OC(C)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is OWOBLWKQJCNWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-14-28-20(26)23(15)9-8-18(24)27-16(2)19(25)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 403.50 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 46625389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).