2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one

C22H29FN2O3 — CID 110308392

IUPAC2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
SMILESCOCCN1C(C)CN(C(=O)C(Cc2ccco2)c2ccc(F)cc2)CC1C
InChIInChI=1S/C22H29FN2O3/c1-16-14-24(15-17(2)25(16)10-12-27-3)22(26)21(13-20-5-4-11-28-20)18-6-8-19(23)9-7-18/h4-9,11,16-17,21H,10,12-15H2,1-3H3
InChIKeyZXRHHDDQOQNSKH-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one

2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one (PubChem CID 110308392) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
PubChem CID110308392
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
SMILESCOCCN1C(C)CN(C(=O)C(Cc2ccco2)c2ccc(F)cc2)CC1C
InChIInChI=1S/C22H29FN2O3/c1-16-14-24(15-17(2)25(16)10-12-27-3)22(26)21(13-20-5-4-11-28-20)18-6-8-19(23)9-7-18/h4-9,11,16-17,21H,10,12-15H2,1-3H3
InChIKeyZXRHHDDQOQNSKH-UHFFFAOYSA-N
XLogP3.31
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one (CID 110308392) is 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one is COCCN1C(C)CN(C(=O)C(Cc2ccco2)c2ccc(F)cc2)CC1C.
What is the InChIKey of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one?
The InChIKey is ZXRHHDDQOQNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-16-14-24(15-17(2)25(16)10-12-27-3)22(26)21(13-20-5-4-11-28-20)18-6-8-19(23)9-7-18/h4-9,11,16-17,21H,10,12-15H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one?
2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one has a molecular weight of 388.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 110308392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).