(4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone

C18H23FN4O — CID 167905137

IUPAC(4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone
SMILESCC(C)N1CCCCC1Cn1cc(C(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C18H23FN4O/c1-13(2)23-10-4-3-5-16(23)11-22-12-17(20-21-22)18(24)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyIADXHDZIMUUPSV-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.91
Rot. Bonds5

About (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone

(4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone (PubChem CID 167905137) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone
PubChem CID167905137
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone
SMILESCC(C)N1CCCCC1Cn1cc(C(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C18H23FN4O/c1-13(2)23-10-4-3-5-16(23)11-22-12-17(20-21-22)18(24)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyIADXHDZIMUUPSV-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 98761671
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 24791999
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426148
2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazole-3-carboxylic acid
CID 167396164
N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide
CID 97289660
1-(4-fluorophenyl)-2-[(2S)-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]pyrrolidin-2-yl]ethanone
CID 124829655
(2S)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95315338
(2S)-2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95315339

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone (CID 167905137) is (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone is CC(C)N1CCCCC1Cn1cc(C(=O)c2ccc(F)cc2)nn1.
What is the InChIKey of (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone?
The InChIKey is IADXHDZIMUUPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13(2)23-10-4-3-5-16(23)11-22-12-17(20-21-22)18(24)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone?
(4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(1-propan-2-ylpiperidin-2-yl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 167905137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).