N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide

C20H24FN3O — CID 75515001

IUPACN-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-15(25)22-17-8-6-16(7-9-17)14-24-12-10-18(11-13-24)23-20-5-3-2-4-19(20)21/h2-9,18,23H,10-14H2,1H3,(H,22,25)
InChIKeyZYTCGXVEHNRSCO-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 75515001) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID75515001
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-15(25)22-17-8-6-16(7-9-17)14-24-12-10-18(11-13-24)23-20-5-3-2-4-19(20)21/h2-9,18,23H,10-14H2,1H3,(H,22,25)
InChIKeyZYTCGXVEHNRSCO-UHFFFAOYSA-N
XLogP3.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
N-[4-[[4-[(1-benzylpiperidin-4-yl)amino]-3-chlorophenyl]carbamothioylamino]phenyl]acetamide
CID 15954891
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
N-[4-[[4-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 172902381
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938
N-[[1-[[4-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 70774921
3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 71986668
N-[4-[2-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110985917

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide (CID 75515001) is N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(Nc3ccccc3F)CC2)cc1.
What is the InChIKey of N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is ZYTCGXVEHNRSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15(25)22-17-8-6-16(7-9-17)14-24-12-10-18(11-13-24)23-20-5-3-2-4-19(20)21/h2-9,18,23H,10-14H2,1H3,(H,22,25).
What are the key properties of N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 75515001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).