[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone

C18H19FN2O — CID 25449307

IUPAC[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O/c19-15-8-10-16(11-9-15)20-17-7-4-12-21(13-17)18(22)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12-13H2/t17-/m0/s1
InChIKeyVMFXXPQKHRLNJE-KRWDZBQOSA-N
MW298.36 g/mol
LogP3.54
Rot. Bonds3

About [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone (PubChem CID 25449307) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
PubChem CID25449307
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O/c19-15-8-10-16(11-9-15)20-17-7-4-12-21(13-17)18(22)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12-13H2/t17-/m0/s1
InChIKeyVMFXXPQKHRLNJE-KRWDZBQOSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727323
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727322
[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 24817113
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 42286883
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 95729983
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone (CID 25449307) is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone?
The InChIKey is VMFXXPQKHRLNJE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-8-10-16(11-9-15)20-17-7-4-12-21(13-17)18(22)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12-13H2/t17-/m0/s1.
What are the key properties of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone?
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone has a molecular weight of 298.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 25449307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).