N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C21H25F3N4O2 — CID 24818903

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H25F3N4O2/c1-3-27-10-9-25-18(27)14-26(2)20(30)16-7-8-19(29)28(13-16)12-15-5-4-6-17(11-15)21(22,23)24/h4-6,9-11,16H,3,7-8,12-14H2,1-2H3
InChIKeyAPTGCZCCKQOMOJ-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.32
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24818903) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24818903
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H25F3N4O2/c1-3-27-10-9-25-18(27)14-26(2)20(30)16-7-8-19(29)28(13-16)12-15-5-4-6-17(11-15)21(22,23)24/h4-6,9-11,16H,3,7-8,12-14H2,1-2H3
InChIKeyAPTGCZCCKQOMOJ-UHFFFAOYSA-N
XLogP3.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24818903) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CCn1ccnc1CN(C)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is APTGCZCCKQOMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-3-27-10-9-25-18(27)14-26(2)20(30)16-7-8-19(29)28(13-16)12-15-5-4-6-17(11-15)21(22,23)24/h4-6,9-11,16H,3,7-8,12-14H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24818903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).