2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

C18H21FN4OS — CID 95989208

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C18H21FN4OS/c1-14(17-3-2-12-25-17)20-21-18(24)13-22-8-10-23(11-9-22)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/b20-14-
InChIKeyAPGCJVRABLHUJE-ZHZULCJRSA-N
MW360.46 g/mol
LogP2.55
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 95989208) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID95989208
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C18H21FN4OS/c1-14(17-3-2-12-25-17)20-21-18(24)13-22-8-10-23(11-9-22)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/b20-14-
InChIKeyAPGCJVRABLHUJE-ZHZULCJRSA-N
XLogP2.55
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 9258315
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-thiophen-2-ylacetamide
CID 113097730
2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 17080231
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (CID 95989208) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)CN1CCN(c2ccc(F)cc2)CC1)c1cccs1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is APGCJVRABLHUJE-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-14(17-3-2-12-25-17)20-21-18(24)13-22-8-10-23(11-9-22)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/b20-14-.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 360.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 95989208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).