N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide

C22H32N4O3 — CID 53181549

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)cc1OC
InChIInChI=1S/C22H32N4O3/c1-6-29-19-8-7-17(13-20(19)28-5)14-23-22(27)21-15(2)26(16(3)24-21)18-9-11-25(4)12-10-18/h7-8,13,18H,6,9-12,14H2,1-5H3,(H,23,27)
InChIKeyBKBJRHHUXFJNSO-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.10
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181549) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181549
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)cc1OC
InChIInChI=1S/C22H32N4O3/c1-6-29-19-8-7-17(13-20(19)28-5)14-23-22(27)21-15(2)26(16(3)24-21)18-9-11-25(4)12-10-18/h7-8,13,18H,6,9-12,14H2,1-5H3,(H,23,27)
InChIKeyBKBJRHHUXFJNSO-UHFFFAOYSA-N
XLogP3.10
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
CID 53181624
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364977
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46470684
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
tert-butyl 4-[2-[(4-ethoxy-3-methoxyphenyl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513294
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46326719
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9147635
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181549) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is CCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is BKBJRHHUXFJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-6-29-19-8-7-17(13-20(19)28-5)14-23-22(27)21-15(2)26(16(3)24-21)18-9-11-25(4)12-10-18/h7-8,13,18H,6,9-12,14H2,1-5H3,(H,23,27).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).