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

C20H20FN5O — CID 56913066

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O/c21-16-7-9-17(10-8-16)24-18-2-1-11-26(12-18)20(27)15-5-3-14(4-6-15)19-22-13-23-25-19/h3-10,13,18,24H,1-2,11-12H2,(H,22,23,25)
InChIKeyGCKWLMBKONRVMR-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.33
Rot. Bonds4

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

[3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 56913066) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID56913066
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O/c21-16-7-9-17(10-8-16)24-18-2-1-11-26(12-18)20(27)15-5-3-14(4-6-15)19-22-13-23-25-19/h3-10,13,18,24H,1-2,11-12H2,(H,22,23,25)
InChIKeyGCKWLMBKONRVMR-UHFFFAOYSA-N
XLogP3.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 56913066) is [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ncn[nH]2)cc1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is GCKWLMBKONRVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-16-7-9-17(10-8-16)24-18-2-1-11-26(12-18)20(27)15-5-3-14(4-6-15)19-22-13-23-25-19/h3-10,13,18,24H,1-2,11-12H2,(H,22,23,25).
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 56913066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).