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

C20H23FN2O — CID 24791061

IUPAC1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O/c21-17-9-11-18(12-10-17)22-19-7-4-14-23(15-19)20(24)13-8-16-5-2-1-3-6-16/h1-3,5-6,9-12,19,22H,4,7-8,13-15H2
InChIKeyNYLVHYYPTZQWLP-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.86
Rot. Bonds5

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

1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 24791061) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID24791061
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O/c21-17-9-11-18(12-10-17)22-19-7-4-14-23(15-19)20(24)13-8-16-5-2-1-3-6-16/h1-3,5-6,9-12,19,22H,4,7-8,13-15H2
InChIKeyNYLVHYYPTZQWLP-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
4-(1,3-dihydroisoindol-2-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]butan-1-one
CID 25488493
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
N-[3-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
CID 95726072
3-(3-chlorophenyl)-1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 42240911
3-(3-chlorophenyl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 24790178
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one (CID 24791061) is 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is NYLVHYYPTZQWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-17-9-11-18(12-10-17)22-19-7-4-14-23(15-19)20(24)13-8-16-5-2-1-3-6-16/h1-3,5-6,9-12,19,22H,4,7-8,13-15H2.
What are the key properties of 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 24791061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).