N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

C21H26F3N5O — CID 25294724

IUPACN-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(CC[C@H]2CCCCN2Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)18-7-2-1-5-15(18)13-28-11-4-3-6-17(28)10-12-29-14-19(26-27-29)20(30)25-16-8-9-16/h1-2,5,7,14,16-17H,3-4,6,8-13H2,(H,25,30)/t17-/m1/s1
InChIKeyFLDOVAQUPFADFO-QGZVFWFLSA-N
MW421.47 g/mol
LogP3.63
Rot. Bonds7

About N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 25294724) has the molecular formula C21H26F3N5O and a molecular weight of 421.47 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID25294724
Molecular FormulaC21H26F3N5O
Molecular Weight421.47 g/mol
Exact Mass421.21
IUPAC NameN-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(CC[C@H]2CCCCN2Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)18-7-2-1-5-15(18)13-28-11-4-3-6-17(28)10-12-29-14-19(26-27-29)20(30)25-16-8-9-16/h1-2,5,7,14,16-17H,3-4,6,8-13H2,(H,25,30)/t17-/m1/s1
InChIKeyFLDOVAQUPFADFO-QGZVFWFLSA-N
XLogP3.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 42428738
N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26336887
1-[2-[1-(cyclohexanecarbonyl)piperidin-2-yl]ethyl]-N-cyclopropyltriazole-4-carboxamide
CID 45244985
N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26358981
N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45207371
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26324562
1-[2-[(2S)-1-[(4-acetamidophenyl)methyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26345856
1-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-N-cyclopentyltriazole-4-carboxamide
CID 171144200
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (CID 25294724) is N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2Cc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is FLDOVAQUPFADFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26F3N5O/c22-21(23,24)18-7-2-1-5-15(18)13-28-11-4-3-6-17(28)10-12-29-14-19(26-27-29)20(30)25-16-8-9-16/h1-2,5,7,14,16-17H,3-4,6,8-13H2,(H,25,30)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 25294724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).