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

C19H22F3N5O — CID 119622470

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESO=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)14-2-1-3-16(10-14)27-12-17(24-25-27)18(28)26-8-6-15(7-9-26)23-11-13-4-5-13/h1-3,10,12-13,15,23H,4-9,11H2
InChIKeyJNSXZASQUICGDW-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.89
Rot. Bonds5

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

[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone (PubChem CID 119622470) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
PubChem CID119622470
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESO=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)14-2-1-3-16(10-14)27-12-17(24-25-27)18(28)26-8-6-15(7-9-26)23-11-13-4-5-13/h1-3,10,12-13,15,23H,4-9,11H2
InChIKeyJNSXZASQUICGDW-UHFFFAOYSA-N
XLogP2.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
N-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119625337
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 166235240
[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119648240
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119565658

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone (CID 119622470) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone is O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The InChIKey is JNSXZASQUICGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)14-2-1-3-16(10-14)27-12-17(24-25-27)18(28)26-8-6-15(7-9-26)23-11-13-4-5-13/h1-3,10,12-13,15,23H,4-9,11H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone has a molecular weight of 393.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone is sourced from PubChem (CID 119622470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).