1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide

C20H26N4O3 — CID 24790478

IUPAC1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccccc2-n2ccnc2C)CCC1=O
InChIInChI=1S/C20H26N4O3/c1-15-21-9-10-24(15)18-6-4-3-5-16(18)13-22-20(26)17-7-8-19(25)23(14-17)11-12-27-2/h3-6,9-10,17H,7-8,11-14H2,1-2H3,(H,22,26)
InChIKeyWXLOEKJURGGLDG-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.68
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide

1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790478) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790478
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccccc2-n2ccnc2C)CCC1=O
InChIInChI=1S/C20H26N4O3/c1-15-21-9-10-24(15)18-6-4-3-5-16(18)13-22-20(26)17-7-8-19(25)23(14-17)11-12-27-2/h3-6,9-10,17H,7-8,11-14H2,1-2H3,(H,22,26)
InChIKeyWXLOEKJURGGLDG-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (CID 24790478) is 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is COCCN1CC(C(=O)NCc2ccccc2-n2ccnc2C)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WXLOEKJURGGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-21-9-10-24(15)18-6-4-3-5-16(18)13-22-20(26)17-7-8-19(25)23(14-17)11-12-27-2/h3-6,9-10,17H,7-8,11-14H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).