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

C17H23FN4O — CID 51260666

IUPAC2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESN#CCCCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O/c18-15-4-6-16(7-5-15)20-17(23)14-22-12-10-21(11-13-22)9-3-1-2-8-19/h4-7H,1-3,9-14H2,(H,20,23)
InChIKeyYACACVGUICRLSV-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.08
Rot. Bonds7

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

2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 51260666) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID51260666
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESN#CCCCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O/c18-15-4-6-16(7-5-15)20-17(23)14-22-12-10-21(11-13-22)9-3-1-2-8-19/h4-7H,1-3,9-14H2,(H,20,23)
InChIKeyYACACVGUICRLSV-UHFFFAOYSA-N
XLogP2.08
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.08
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-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988170
N-(4-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
CID 8719281
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 8804901
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
CID 8804929
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 51260666) is 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is N#CCCCCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is YACACVGUICRLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c18-15-4-6-16(7-5-15)20-17(23)14-22-12-10-21(11-13-22)9-3-1-2-8-19/h4-7H,1-3,9-14H2,(H,20,23).
What are the key properties of 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 51260666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).