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

C21H30N4O — CID 90493955

IUPACN-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCCc1nccn1CC1CCN(CC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C21H30N4O/c1-4-20-22-9-12-25(20)14-18-7-10-24(11-8-18)15-21(26)23-19-6-5-16(2)13-17(19)3/h5-6,9,12-13,18H,4,7-8,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyLENMPLROKGUCDC-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.41
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 90493955) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID90493955
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCCc1nccn1CC1CCN(CC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C21H30N4O/c1-4-20-22-9-12-25(20)14-18-7-10-24(11-8-18)15-21(26)23-19-6-5-16(2)13-17(19)3/h5-6,9,12-13,18H,4,7-8,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyLENMPLROKGUCDC-UHFFFAOYSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.41
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-(2-fluorophenyl)acetamide
CID 90493960
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-(4-ethylphenyl)acetamide
CID 90493958
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
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-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 90493955) is N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is CCc1nccn1CC1CCN(CC(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is LENMPLROKGUCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-20-22-9-12-25(20)14-18-7-10-24(11-8-18)15-21(26)23-19-6-5-16(2)13-17(19)3/h5-6,9,12-13,18H,4,7-8,10-11,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90493955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).