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

C22H23FN4O3 — CID 46655001

IUPAC2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O3/c1-16(30-20-8-2-17(14-24)3-9-20)22(29)27-12-10-26(11-13-27)15-21(28)25-19-6-4-18(23)5-7-19/h2-9,16H,10-13,15H2,1H3,(H,25,28)
InChIKeyZDBWWMPUIJEIPW-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.25
Rot. Bonds6

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

2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 46655001) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID46655001
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O3/c1-16(30-20-8-2-17(14-24)3-9-20)22(29)27-12-10-26(11-13-27)15-21(28)25-19-6-4-18(23)5-7-19/h2-9,16H,10-13,15H2,1H3,(H,25,28)
InChIKeyZDBWWMPUIJEIPW-UHFFFAOYSA-N
XLogP2.25
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2S)-2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 94868085
2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451821
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55364379
N-(2-chlorophenyl)-2-[4-[(2R)-2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]acetamide
CID 9020784
4-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 8924756
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115506
4-[1-(4-but-3-ynylpiperazin-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 47079281
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide;dihydrochloride
CID 120502556
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 46655001) is 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is CC(Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ZDBWWMPUIJEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-16(30-20-8-2-17(14-24)3-9-20)22(29)27-12-10-26(11-13-27)15-21(28)25-19-6-4-18(23)5-7-19/h2-9,16H,10-13,15H2,1H3,(H,25,28).
What are the key properties of 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46655001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).