3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide

C18H24FN5O — CID 45194281

IUPAC3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(Cn2cc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C18H24FN5O/c1-13(2)20-18(25)23-9-3-4-14(10-23)11-24-12-17(21-22-24)15-5-7-16(19)8-6-15/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,20,25)
InChIKeyLEBUTQZLXLIISK-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.91
Rot. Bonds4

About 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide

3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 45194281) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID45194281
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(Cn2cc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C18H24FN5O/c1-13(2)20-18(25)23-9-3-4-14(10-23)11-24-12-17(21-22-24)15-5-7-16(19)8-6-15/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,20,25)
InChIKeyLEBUTQZLXLIISK-UHFFFAOYSA-N
XLogP2.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155531034
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CID 44588428
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151259440
4-(1-methyl-1H-1,2,3-triazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271593
[1-[(4-Fluorophenyl)methyl]triazol-4-yl]methyl 4-(propan-2-ylcarbamoyl)piperazine-1-carbodithioate
CID 71698408
(2-Ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone
CID 134149903
(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155514780
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 45194281) is 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(Cn2cc(-c3ccc(F)cc3)nn2)C1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is LEBUTQZLXLIISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-13(2)20-18(25)23-9-3-4-14(10-23)11-24-12-17(21-22-24)15-5-7-16(19)8-6-15/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,20,25).
What are the key properties of 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 45194281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).