2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile

C19H24FN3O2 — CID 122150148

IUPAC2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile
SMILESCC1CCC(CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)O1
InChIInChI=1S/C19H24FN3O2/c1-14-5-6-15(25-14)7-8-19(24)23-11-9-22(10-12-23)18-4-2-3-17(20)16(18)13-21/h2-4,14-15H,5-12H2,1H3
InChIKeyLAMWOUBIUMQHNC-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.69
Rot. Bonds4

About 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile

2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile (PubChem CID 122150148) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile
PubChem CID122150148
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile
SMILESCC1CCC(CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)O1
InChIInChI=1S/C19H24FN3O2/c1-14-5-6-15(25-14)7-8-19(24)23-11-9-22(10-12-23)18-4-2-3-17(20)16(18)13-21/h2-4,14-15H,5-12H2,1H3
InChIKeyLAMWOUBIUMQHNC-UHFFFAOYSA-N
XLogP2.69
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile
CID 56812481
2-fluoro-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]benzonitrile
CID 56815421
2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 51245848
2-[4-[4-(4-chloro-3-methylphenoxy)butanoyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 38619089
tert-butyl 4-(2-cyano-3-fluorophenyl)piperazine-1-carboxylate
CID 51111672
2-fluoro-6-[4-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]piperazin-1-yl]benzonitrile
CID 33281652
2-fluoro-6-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 56815301
2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile
CID 95233026
3-[[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019322
2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 38618108
2-[4-(1-acetylpiperidin-4-yl)azepan-1-yl]-6-fluorobenzonitrile
CID 154786225
3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 119402493

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile (CID 122150148) is 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile is CC1CCC(CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)O1.
What is the InChIKey of 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile?
The InChIKey is LAMWOUBIUMQHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-14-5-6-15(25-14)7-8-19(24)23-11-9-22(10-12-23)18-4-2-3-17(20)16(18)13-21/h2-4,14-15H,5-12H2,1H3.
What are the key properties of 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile has a molecular weight of 345.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 122150148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).