N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C12H18F3N5O — CID 128969613

IUPACN-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(Cc2cnnn2C)C1
InChIInChI=1S/C12H18F3N5O/c1-8(21)17-9-3-4-11(12(13,14)15)20(6-9)7-10-5-16-18-19(10)2/h5,9,11H,3-4,6-7H2,1-2H3,(H,17,21)
InChIKeyNJBHGSLIJCNVCP-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.85
Rot. Bonds3

About N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128969613) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128969613
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(Cc2cnnn2C)C1
InChIInChI=1S/C12H18F3N5O/c1-8(21)17-9-3-4-11(12(13,14)15)20(6-9)7-10-5-16-18-19(10)2/h5,9,11H,3-4,6-7H2,1-2H3,(H,17,21)
InChIKeyNJBHGSLIJCNVCP-UHFFFAOYSA-N
XLogP0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide 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

alpha7 Agonists 10q
CID 57340847
alpha7 Agonists 10t
CID 57340875
AS-Mono-GK-DP
CID 25162991
2-(diethylamino)-N-[(1-heptyltriazol-4-yl)methyl]acetamide
CID 51050543
(2S)-N-(2,2-difluoroethyl)-1-[(2-ethyltriazol-4-yl)methyl]piperidine-2-carboxamide
CID 137996420
(3S)-N-[(1-methyltriazol-4-yl)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 164635636
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 164642380
N-[2-fluoro-1-(3-methyltriazol-4-yl)ethyl]acetamide
CID 157037142
3-acetamidopropyl-dimethyl-[[1-[[(2S)-pyrrolidin-2-yl]methyl]triazol-4-yl]methyl]azanium
CID 134959534
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 63283083
N-ethyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 63284249
1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 63284582

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128969613) is N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(Cc2cnnn2C)C1.
What is the InChIKey of N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is NJBHGSLIJCNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-8(21)17-9-3-4-11(12(13,14)15)20(6-9)7-10-5-16-18-19(10)2/h5,9,11H,3-4,6-7H2,1-2H3,(H,17,21).
What are the key properties of N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128969613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).