1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one

C21H25FN2O2 — CID 45235323

IUPAC1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H25FN2O2/c1-26-20-6-2-4-16(14-20)7-12-21(25)24-13-3-5-19(15-24)23-18-10-8-17(22)9-11-18/h2,4,6,8-11,14,19,23H,3,5,7,12-13,15H2,1H3
InChIKeyFIISNXSZYLLENX-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.87
Rot. Bonds6

About 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one

1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (PubChem CID 45235323) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
PubChem CID45235323
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H25FN2O2/c1-26-20-6-2-4-16(14-20)7-12-21(25)24-13-3-5-19(15-24)23-18-10-8-17(22)9-11-18/h2,4,6,8-11,14,19,23H,3,5,7,12-13,15H2,1H3
InChIKeyFIISNXSZYLLENX-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (CID 45235323) is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is COc1cccc(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is FIISNXSZYLLENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-26-20-6-2-4-16(14-20)7-12-21(25)24-13-3-5-19(15-24)23-18-10-8-17(22)9-11-18/h2,4,6,8-11,14,19,23H,3,5,7,12-13,15H2,1H3.
What are the key properties of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 356.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 45235323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).