4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C20H28N4O2 — CID 155871591

IUPAC4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C20H28N4O2/c1-17-3-5-18(6-4-17)15-23-11-7-20(8-12-23,24-13-9-21-16-24)19(25)22-10-14-26-2/h3-6,9,13,16H,7-8,10-12,14-15H2,1-2H3,(H,22,25)
InChIKeyZZBPFQSDTXUSHR-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.95
Rot. Bonds7

About 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 155871591) 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-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID155871591
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C20H28N4O2/c1-17-3-5-18(6-4-17)15-23-11-7-20(8-12-23,24-13-9-21-16-24)19(25)22-10-14-26-2/h3-6,9,13,16H,7-8,10-12,14-15H2,1-2H3,(H,22,25)
InChIKeyZZBPFQSDTXUSHR-UHFFFAOYSA-N
XLogP1.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.95
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

formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 171695932
4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 155872596
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
CID 155871130
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
1-[(3,5-dimethoxyphenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155877437
1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155873982
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871135
N-(2-methoxyethyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918870
N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid
CID 155878922

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 155871591) is 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZZBPFQSDTXUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-17-3-5-18(6-4-17)15-23-11-7-20(8-12-23,24-13-9-21-16-24)19(25)22-10-14-26-2/h3-6,9,13,16H,7-8,10-12,14-15H2,1-2H3,(H,22,25).
What are the key properties of 4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.95, 7 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-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155871591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).