1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide

C22H30N4O4 — CID 53181628

IUPAC1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c(OC)c1
InChIInChI=1S/C22H30N4O4/c1-14-21(22(28)23-13-17-6-7-19(29-4)12-20(17)30-5)24-15(2)26(14)18-8-10-25(11-9-18)16(3)27/h6-7,12,18H,8-11,13H2,1-5H3,(H,23,28)
InChIKeySSCKVEPVFZGFTC-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.63
Rot. Bonds6

About 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide

1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide (PubChem CID 53181628) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
PubChem CID53181628
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c(OC)c1
InChIInChI=1S/C22H30N4O4/c1-14-21(22(28)23-13-17-6-7-19(29-4)12-20(17)30-5)24-15(2)26(14)18-8-10-25(11-9-18)16(3)27/h6-7,12,18H,8-11,13H2,1-5H3,(H,23,28)
InChIKeySSCKVEPVFZGFTC-UHFFFAOYSA-N
XLogP2.63
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide (CID 53181628) is 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide is COc1ccc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c(OC)c1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is SSCKVEPVFZGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-14-21(22(28)23-13-17-6-7-19(29-4)12-20(17)30-5)24-15(2)26(14)18-8-10-25(11-9-18)16(3)27/h6-7,12,18H,8-11,13H2,1-5H3,(H,23,28).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 53181628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).