3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

C22H25FN2O2 — CID 110666027

IUPAC3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1cccc(CC(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN2O2/c1-17-3-2-4-19(15-17)16-22(27)25-13-11-24(12-14-25)21(26)10-7-18-5-8-20(23)9-6-18/h2-6,8-9,15H,7,10-14,16H2,1H3
InChIKeyOJOKMKXKZRFMSG-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.98
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 110666027) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID110666027
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1cccc(CC(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN2O2/c1-17-3-2-4-19(15-17)16-22(27)25-13-11-24(12-14-25)21(26)10-7-18-5-8-20(23)9-6-18/h2-6,8-9,15H,7,10-14,16H2,1H3
InChIKeyOJOKMKXKZRFMSG-UHFFFAOYSA-N
XLogP2.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
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2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
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3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
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3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one (CID 110666027) is 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one is Cc1cccc(CC(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is OJOKMKXKZRFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-17-3-2-4-19(15-17)16-22(27)25-13-11-24(12-14-25)21(26)10-7-18-5-8-20(23)9-6-18/h2-6,8-9,15H,7,10-14,16H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 368.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110666027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).