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

C16H21FN4O2 — CID 71871275

IUPAC2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C16H21FN4O2/c1-23-9-4-19-16(22)12-20-5-7-21(8-6-20)15-3-2-14(17)10-13(15)11-18/h2-3,10H,4-9,12H2,1H3,(H,19,22)
InChIKeyBIHGYFQGLKVHLF-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.58
Rot. Bonds6

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

2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 71871275) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID71871275
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C16H21FN4O2/c1-23-9-4-19-16(22)12-20-5-7-21(8-6-20)15-3-2-14(17)10-13(15)11-18/h2-3,10H,4-9,12H2,1H3,(H,19,22)
InChIKeyBIHGYFQGLKVHLF-UHFFFAOYSA-N
XLogP0.58
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-cyano-4-fluorophenyl)-1,4-diazepan-1-yl]acetic acid
CID 63672554
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 36851040
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
N-(2-bromo-4-fluorophenyl)-4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 78894352
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 28507598
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60510944
2-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51239949
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 71871275) is 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1.
What is the InChIKey of 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is BIHGYFQGLKVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-23-9-4-19-16(22)12-20-5-7-21(8-6-20)15-3-2-14(17)10-13(15)11-18/h2-3,10H,4-9,12H2,1H3,(H,19,22).
What are the key properties of 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 71871275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).