4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide

C15H16FN5O2S — CID 47000283

IUPAC4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1
InChIInChI=1S/C15H16FN5O2S/c1-10-17-14(24-19-10)18-15(23)21-7-6-20(13(22)9-21)8-11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,18,19,23)
InChIKeyVYXFOOADDLIXEL-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.86
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide

4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 47000283) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
PubChem CID47000283
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC Name4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1
InChIInChI=1S/C15H16FN5O2S/c1-10-17-14(24-19-10)18-15(23)21-7-6-20(13(22)9-21)8-11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,18,19,23)
InChIKeyVYXFOOADDLIXEL-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 154838277
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 56743160
4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 86286910
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46993854
7-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 46994855
N-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831344
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
4-(5-fluoropyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 91837307
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
6-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 46983234

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide (CID 47000283) is 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide is Cc1nsc(NC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is VYXFOOADDLIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c1-10-17-14(24-19-10)18-15(23)21-7-6-20(13(22)9-21)8-11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3,(H,17,18,19,23).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 47000283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).