(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone

C14H16FN5O — CID 53491083

IUPAC(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C14H16FN5O/c15-10-1-3-12(4-2-10)20-9-13(17-18-20)14(21)19-7-5-11(16)6-8-19/h1-4,9,11H,5-8,16H2
InChIKeyMMKNSOCGUYVJJC-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.97
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone

(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone (PubChem CID 53491083) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
PubChem CID53491083
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C14H16FN5O/c15-10-1-3-12(4-2-10)20-9-13(17-18-20)14(21)19-7-5-11(16)6-8-19/h1-4,9,11H,5-8,16H2
InChIKeyMMKNSOCGUYVJJC-UHFFFAOYSA-N
XLogP0.97
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
CID 53489698
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)triazol-4-yl]methanone
CID 66485055
(3R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129415168
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 125150672
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120815859
[1-(4-fluorophenyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 167776575
[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622
3-[(2R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124701425

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone (CID 53491083) is (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone is NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone?
The InChIKey is MMKNSOCGUYVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-10-1-3-12(4-2-10)20-9-13(17-18-20)14(21)19-7-5-11(16)6-8-19/h1-4,9,11H,5-8,16H2.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone has a molecular weight of 289.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone is sourced from PubChem (CID 53491083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).