N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C15H19FN4O — CID 46673146

IUPACN-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESN#CCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O/c16-13-2-4-14(5-3-13)20-10-8-19(9-11-20)12-15(21)18-7-1-6-17/h2-5H,1,7-12H2,(H,18,21)
InChIKeyYVKJMWSCNFCDHM-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.98
Rot. Bonds5

About N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 46673146) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID46673146
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESN#CCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O/c16-13-2-4-14(5-3-13)20-10-8-19(9-11-20)12-15(21)18-7-1-6-17/h2-5H,1,7-12H2,(H,18,21)
InChIKeyYVKJMWSCNFCDHM-UHFFFAOYSA-N
XLogP0.98
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988170
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 671206
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703950
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 43061951
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8703887

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 46673146) is N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is N#CCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is YVKJMWSCNFCDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-13-2-4-14(5-3-13)20-10-8-19(9-11-20)12-15(21)18-7-1-6-17/h2-5H,1,7-12H2,(H,18,21).
What are the key properties of N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 290.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46673146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).