[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone

C20H19FN4O — CID 121164861

IUPAC[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C20H19FN4O/c21-18-7-5-16(6-8-18)15-1-3-17(4-2-15)20(26)24-13-9-19(10-14-24)25-22-11-12-23-25/h1-8,11-12,19H,9-10,13-14H2
InChIKeyJAILRLKUMNDDCI-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.56
Rot. Bonds3

About [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121164861) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
PubChem CID121164861
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C20H19FN4O/c21-18-7-5-16(6-8-18)15-1-3-17(4-2-15)20(26)24-13-9-19(10-14-24)25-22-11-12-23-25/h1-8,11-12,19H,9-10,13-14H2
InChIKeyJAILRLKUMNDDCI-UHFFFAOYSA-N
XLogP3.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164916
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 87786267
[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 58494521
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
1,3-benzodioxol-5-yl-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]methanone
CID 16668514

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone (CID 121164861) is [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(n2nccn2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JAILRLKUMNDDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-18-7-5-16(6-8-18)15-1-3-17(4-2-15)20(26)24-13-9-19(10-14-24)25-22-11-12-23-25/h1-8,11-12,19H,9-10,13-14H2.
What are the key properties of [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 350.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121164861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).