[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C19H19FN6O — CID 95729983

IUPAC[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN6O/c20-13-7-9-14(10-8-13)21-15-4-3-11-26(12-15)19(27)17-6-2-1-5-16(17)18-22-24-25-23-18/h1-2,5-10,15,21H,3-4,11-12H2,(H,22,23,24,25)/t15-/m0/s1
InChIKeyZYUPACOFCYJEOU-HNNXBMFYSA-N
MW366.40 g/mol
LogP2.72
Rot. Bonds4

About [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 95729983) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID95729983
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN6O/c20-13-7-9-14(10-8-13)21-15-4-3-11-26(12-15)19(27)17-6-2-1-5-16(17)18-22-24-25-23-18/h1-2,5-10,15,21H,3-4,11-12H2,(H,22,23,24,25)/t15-/m0/s1
InChIKeyZYUPACOFCYJEOU-HNNXBMFYSA-N
XLogP2.72
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 42286883
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
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 56877268
[(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

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 95729983) is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is O=C(c1ccccc1-c1nn[nH]n1)N1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is ZYUPACOFCYJEOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-13-7-9-14(10-8-13)21-15-4-3-11-26(12-15)19(27)17-6-2-1-5-16(17)18-22-24-25-23-18/h1-2,5-10,15,21H,3-4,11-12H2,(H,22,23,24,25)/t15-/m0/s1.
What are the key properties of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 366.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 95729983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).