3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one

C25H27FN2O2 — CID 56796258

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
SMILESCN(c1ccccc1)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C25H27FN2O2/c1-27(19-7-3-2-4-8-19)20-15-17-28(18-16-20)25(29)14-12-21-11-13-24(30-21)22-9-5-6-10-23(22)26/h2-11,13,20H,12,14-18H2,1H3
InChIKeyCJDZAVFHGINMMY-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.15
Rot. Bonds6

About 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one

3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one (PubChem CID 56796258) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
PubChem CID56796258
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
SMILESCN(c1ccccc1)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C25H27FN2O2/c1-27(19-7-3-2-4-8-19)20-15-17-28(18-16-20)25(29)14-12-21-11-13-24(30-21)22-9-5-6-10-23(22)26/h2-11,13,20H,12,14-18H2,1H3
InChIKeyCJDZAVFHGINMMY-UHFFFAOYSA-N
XLogP5.15
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one (CID 56796258) is 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one is CN(c1ccccc1)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one?
The InChIKey is CJDZAVFHGINMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-27(19-7-3-2-4-8-19)20-15-17-28(18-16-20)25(29)14-12-21-11-13-24(30-21)22-9-5-6-10-23(22)26/h2-11,13,20H,12,14-18H2,1H3.
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one?
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one has a molecular weight of 406.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56796258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).