2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

C19H23FN4O2S — CID 24793954

IUPAC2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)cs1
InChIInChI=1S/C19H23FN4O2S/c1-13-22-16(12-27-13)11-23(2)18(25)9-17-19(26)21-7-8-24(17)10-14-3-5-15(20)6-4-14/h3-6,12,17H,7-11H2,1-2H3,(H,21,26)
InChIKeyWSOIALLAPXZQEG-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.94
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 24793954) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID24793954
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)cs1
InChIInChI=1S/C19H23FN4O2S/c1-13-22-16(12-27-13)11-23(2)18(25)9-17-19(26)21-7-8-24(17)10-14-3-5-15(20)6-4-14/h3-6,12,17H,7-11H2,1-2H3,(H,21,26)
InChIKeyWSOIALLAPXZQEG-UHFFFAOYSA-N
XLogP1.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 24793954) is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)cs1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is WSOIALLAPXZQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-13-22-16(12-27-13)11-23(2)18(25)9-17-19(26)21-7-8-24(17)10-14-3-5-15(20)6-4-14/h3-6,12,17H,7-11H2,1-2H3,(H,21,26).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24793954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).