4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide

C20H28N4O2 — CID 155872596

IUPAC4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-26-16-11-22-19(25)20(24-15-10-21-17-24)8-13-23(14-9-20)12-7-18-5-3-2-4-6-18/h2-6,10,15,17H,7-9,11-14,16H2,1H3,(H,22,25)
InChIKeyCFZMHDOCDHBILJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.68
Rot. Bonds8

About 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide

4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 155872596) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID155872596
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-26-16-11-22-19(25)20(24-15-10-21-17-24)8-13-23(14-9-20)12-7-18-5-3-2-4-6-18/h2-6,10,15,17H,7-9,11-14,16H2,1H3,(H,22,25)
InChIKeyCFZMHDOCDHBILJ-UHFFFAOYSA-N
XLogP1.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871135
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 171695932
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
CID 155871130
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155879570
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
CID 66735798

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide (CID 155872596) is 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide is COCCNC(=O)C1(n2ccnc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is CFZMHDOCDHBILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-26-16-11-22-19(25)20(24-15-10-21-17-24)8-13-23(14-9-20)12-7-18-5-3-2-4-6-18/h2-6,10,15,17H,7-9,11-14,16H2,1H3,(H,22,25).
What are the key properties of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide?
4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155872596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).