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

C18H21FN4O2S — CID 24791702

IUPAC2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)cs1
InChIInChI=1S/C18H21FN4O2S/c1-12-22-15(11-26-12)9-21-17(24)8-16-18(25)20-6-7-23(16)10-13-2-4-14(19)5-3-13/h2-5,11,16H,6-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyHZQIGFXBTZLXSO-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.60
Rot. Bonds6

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

2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 24791702) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID24791702
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)cs1
InChIInChI=1S/C18H21FN4O2S/c1-12-22-15(11-26-12)9-21-17(24)8-16-18(25)20-6-7-23(16)10-13-2-4-14(19)5-3-13/h2-5,11,16H,6-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyHZQIGFXBTZLXSO-UHFFFAOYSA-N
XLogP1.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 24791702) is 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-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-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)cs1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is HZQIGFXBTZLXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-12-22-15(11-26-12)9-21-17(24)8-16-18(25)20-6-7-23(16)10-13-2-4-14(19)5-3-13/h2-5,11,16H,6-10H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 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-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24791702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).