(4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone

C21H26FN5O2 — CID 119798386

IUPAC(4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1c(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)nnn1C1CCNCC1
InChIInChI=1S/C21H26FN5O2/c1-14-19(24-25-27(14)18-8-10-23-11-9-18)21(29)26-12-2-3-16(13-26)20(28)15-4-6-17(22)7-5-15/h4-7,16,18,23H,2-3,8-13H2,1H3
InChIKeyNFFQDHZWNJOWLN-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.39
Rot. Bonds4

About (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone

(4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 119798386) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone
PubChem CID119798386
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name(4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1c(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)nnn1C1CCNCC1
InChIInChI=1S/C21H26FN5O2/c1-14-19(24-25-27(14)18-8-10-23-11-9-18)21(29)26-12-2-3-16(13-26)20(28)15-4-6-17(22)7-5-15/h4-7,16,18,23H,2-3,8-13H2,1H3
InChIKeyNFFQDHZWNJOWLN-UHFFFAOYSA-N
XLogP2.39
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(azepan-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119875709
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124697610
[(3S)-3-(3-methylbutyl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 99850060
(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
(4,4-dimethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119803692
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119399369
[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119814158
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119736858
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119804279
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone (CID 119798386) is (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone is Cc1c(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)nnn1C1CCNCC1.
What is the InChIKey of (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is NFFQDHZWNJOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-14-19(24-25-27(14)18-8-10-23-11-9-18)21(29)26-12-2-3-16(13-26)20(28)15-4-6-17(22)7-5-15/h4-7,16,18,23H,2-3,8-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone?
(4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 399.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 119798386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).