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

C21H30N4O — CID 90493958

IUPAC2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2CCC(Cn3ccnc3CC)CC2)cc1
InChIInChI=1S/C21H30N4O/c1-3-17-5-7-19(8-6-17)23-21(26)16-24-12-9-18(10-13-24)15-25-14-11-22-20(25)4-2/h5-8,11,14,18H,3-4,9-10,12-13,15-16H2,1-2H3,(H,23,26)
InChIKeyCOPQVXAFUMJYIE-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.36
Rot. Bonds7

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

2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 90493958) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID90493958
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2CCC(Cn3ccnc3CC)CC2)cc1
InChIInChI=1S/C21H30N4O/c1-3-17-5-7-19(8-6-17)23-21(26)16-24-12-9-18(10-13-24)15-25-14-11-22-20(25)4-2/h5-8,11,14,18H,3-4,9-10,12-13,15-16H2,1-2H3,(H,23,26)
InChIKeyCOPQVXAFUMJYIE-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.36
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
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493968
N-cyclopropyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494026
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 90493960
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
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
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide (CID 90493958) is 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2CCC(Cn3ccnc3CC)CC2)cc1.
What is the InChIKey of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is COPQVXAFUMJYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-17-5-7-19(8-6-17)23-21(26)16-24-12-9-18(10-13-24)15-25-14-11-22-20(25)4-2/h5-8,11,14,18H,3-4,9-10,12-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide?
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.36, 7 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-ethylphenyl)acetamide is sourced from PubChem (CID 90493958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).