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

C20H25F3N4O — CID 90493982

IUPAC2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1nccn1CC1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H25F3N4O/c1-2-18-24-9-12-27(18)13-15-7-10-26(11-8-15)14-19(28)25-17-5-3-16(4-6-17)20(21,22)23/h3-6,9,12,15H,2,7-8,10-11,13-14H2,1H3,(H,25,28)
InChIKeyPPCZDZWKUSCYJY-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.82
Rot. Bonds6

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

2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90493982) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90493982
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1nccn1CC1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H25F3N4O/c1-2-18-24-9-12-27(18)13-15-7-10-26(11-8-15)14-19(28)25-17-5-3-16(4-6-17)20(21,22)23/h3-6,9,12,15H,2,7-8,10-11,13-14H2,1H3,(H,25,28)
InChIKeyPPCZDZWKUSCYJY-UHFFFAOYSA-N
XLogP3.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.82
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-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 90493958
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90494205
N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493968
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 90493960
N-cyclopropyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494026
N-cyclohexyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493994
N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493955
4-[(2-ethylimidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90494143
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 90493982) is 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is CCc1nccn1CC1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PPCZDZWKUSCYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-2-18-24-9-12-27(18)13-15-7-10-26(11-8-15)14-19(28)25-17-5-3-16(4-6-17)20(21,22)23/h3-6,9,12,15H,2,7-8,10-11,13-14H2,1H3,(H,25,28).
What are the key properties of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90493982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).