2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C21H27F3N4O — CID 90494205

IUPAC2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1nccn1CC1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H27F3N4O/c1-15(2)20-25-9-12-28(20)13-16-7-10-27(11-8-16)14-19(29)26-18-5-3-17(4-6-18)21(22,23)24/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3,(H,26,29)
InChIKeyYJGAQFGCKXDIEU-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.38
Rot. Bonds6

About 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90494205) has the molecular formula C21H27F3N4O and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90494205
Molecular FormulaC21H27F3N4O
Molecular Weight408.47 g/mol
Exact Mass408.21
IUPAC Name2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1nccn1CC1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H27F3N4O/c1-15(2)20-25-9-12-28(20)13-16-7-10-27(11-8-16)14-19(29)26-18-5-3-17(4-6-18)21(22,23)24/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3,(H,26,29)
InChIKeyYJGAQFGCKXDIEU-UHFFFAOYSA-N
XLogP4.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90493982
N-(4-nitrophenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494209
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 90493958
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
1-piperidin-1-yl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494161
4-[(2-propan-2-ylimidazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90494377

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 90494205) is 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is CC(C)c1nccn1CC1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YJGAQFGCKXDIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O/c1-15(2)20-25-9-12-28(20)13-16-7-10-27(11-8-16)14-19(29)26-18-5-3-17(4-6-18)21(22,23)24/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 408.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90494205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).