(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone

C15H15F4N5O — CID 119379500

IUPAC(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone
SMILESNC1CCCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C1
InChIInChI=1S/C15H15F4N5O/c16-9-3-1-5-11(7-9)24-13(15(17,18)19)12(21-22-24)14(25)23-6-2-4-10(20)8-23/h1,3,5,7,10H,2,4,6,8,20H2
InChIKeyNEJAHKZNJVLPBR-UHFFFAOYSA-N
MW357.31 g/mol
LogP1.99
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone

(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone (PubChem CID 119379500) has the molecular formula C15H15F4N5O and a molecular weight of 357.31 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone
PubChem CID119379500
Molecular FormulaC15H15F4N5O
Molecular Weight357.31 g/mol
Exact Mass357.12
IUPAC Name(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone
SMILESNC1CCCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C1
InChIInChI=1S/C15H15F4N5O/c16-9-3-1-5-11(7-9)24-13(15(17,18)19)12(21-22-24)14(25)23-6-2-4-10(20)8-23/h1,3,5,7,10H,2,4,6,8,20H2
InChIKeyNEJAHKZNJVLPBR-UHFFFAOYSA-N
XLogP1.99
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124693894
4-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240165
2-[4-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56586239
1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide
CID 119552344
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-bromophenyl)-5-methyltriazol-4-yl]methanone
CID 119410041
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 119502155
[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561897
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
N-[2-(ethylamino)ethyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119507058
[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541373
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 119410764
(3-aminopiperidin-1-yl)-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119380884

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone (CID 119379500) is (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone is NC1CCCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone?
The InChIKey is NEJAHKZNJVLPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N5O/c16-9-3-1-5-11(7-9)24-13(15(17,18)19)12(21-22-24)14(25)23-6-2-4-10(20)8-23/h1,3,5,7,10H,2,4,6,8,20H2.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone?
(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone has a molecular weight of 357.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone is sourced from PubChem (CID 119379500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).