(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone

C15H16F3N5O — CID 119373731

IUPAC(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)10-2-1-3-12(8-10)23-9-13(20-21-23)14(24)22-6-4-11(19)5-7-22/h1-3,8-9,11H,4-7,19H2
InChIKeyPSPMVHBNWWJVNU-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.85
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone

(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone (PubChem CID 119373731) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
PubChem CID119373731
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)10-2-1-3-12(8-10)23-9-13(20-21-23)14(24)22-6-4-11(19)5-7-22/h1-3,8-9,11H,4-7,19H2
InChIKeyPSPMVHBNWWJVNU-UHFFFAOYSA-N
XLogP1.85
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119622470
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 53491083
N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 166235240
(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
CID 53489698
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)triazol-4-yl]methanone
CID 66485055
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119485152
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119518752
N-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone (CID 119373731) is (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone is NC1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The InChIKey is PSPMVHBNWWJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)10-2-1-3-12(8-10)23-9-13(20-21-23)14(24)22-6-4-11(19)5-7-22/h1-3,8-9,11H,4-7,19H2.
What are the key properties of (4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 1.85, 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-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone is sourced from PubChem (CID 119373731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).