1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide

C20H26N4O3 — CID 91841223

IUPAC1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C20H26N4O3/c1-2-27-14-19(25)23-10-7-16(8-11-23)20(26)22-13-17-5-3-4-6-18(17)24-12-9-21-15-24/h3-6,9,12,15-16H,2,7-8,10-11,13-14H2,1H3,(H,22,26)
InChIKeyYUPIGEKULUMINX-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.76
Rot. Bonds7

About 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide

1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 91841223) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID91841223
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C20H26N4O3/c1-2-27-14-19(25)23-10-7-16(8-11-23)20(26)22-13-17-5-3-4-6-18(17)24-12-9-21-15-24/h3-6,9,12,15-16H,2,7-8,10-11,13-14H2,1H3,(H,22,26)
InChIKeyYUPIGEKULUMINX-UHFFFAOYSA-N
XLogP1.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
N-[(2-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 92672066
1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 46772253
ethyl 1-[N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110995019
1-(4-ethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 60574514
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
tert-butyl N-[1-[N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729782
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
(3R)-N-[(2-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019817
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111630738
N-[(2-imidazol-1-ylphenyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983614

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide (CID 91841223) is 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide is CCOCC(=O)N1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1.
What is the InChIKey of 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YUPIGEKULUMINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-27-14-19(25)23-10-7-16(8-11-23)20(26)22-13-17-5-3-4-6-18(17)24-12-9-21-15-24/h3-6,9,12,15-16H,2,7-8,10-11,13-14H2,1H3,(H,22,26).
What are the key properties of 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91841223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).