[2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone

C20H24FN3O — CID 24790317

IUPAC[2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCN(C)c1ccccc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H24FN3O/c1-23(2)19-8-4-3-7-18(19)20(25)24-13-5-6-17(14-24)22-16-11-9-15(21)10-12-16/h3-4,7-12,17,22H,5-6,13-14H2,1-2H3
InChIKeyALHDMLNCJCQDKH-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.61
Rot. Bonds4

About [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone

[2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 24790317) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone
PubChem CID24790317
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCN(C)c1ccccc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H24FN3O/c1-23(2)19-8-4-3-7-18(19)20(25)24-13-5-6-17(14-24)22-16-11-9-15(21)10-12-16/h3-4,7-12,17,22H,5-6,13-14H2,1-2H3
InChIKeyALHDMLNCJCQDKH-UHFFFAOYSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone (CID 24790317) is [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone is CN(C)c1ccccc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is ALHDMLNCJCQDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-23(2)19-8-4-3-7-18(19)20(25)24-13-5-6-17(14-24)22-16-11-9-15(21)10-12-16/h3-4,7-12,17,22H,5-6,13-14H2,1-2H3.
What are the key properties of [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
[2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-[3-(4-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24790317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).