N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C21H24N6O2 — CID 90520297

IUPACN-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-18-5-3-17(4-6-18)25-21(28)16-7-10-26(11-8-16)19-13-20(24-14-23-19)27-12-9-22-15-27/h3-6,9,12-16H,2,7-8,10-11H2,1H3,(H,25,28)
InChIKeyGLPPMPOKDPPEKV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.92
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90520297) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID90520297
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-18-5-3-17(4-6-18)25-21(28)16-7-10-26(11-8-16)19-13-20(24-14-23-19)27-12-9-22-15-27/h3-6,9,12-16H,2,7-8,10-11H2,1H3,(H,25,28)
InChIKeyGLPPMPOKDPPEKV-UHFFFAOYSA-N
XLogP2.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307
N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520287
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90520324
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 90520395
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078059
(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520223

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90520297) is N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GLPPMPOKDPPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-29-18-5-3-17(4-6-18)25-21(28)16-7-10-26(11-8-16)19-13-20(24-14-23-19)27-12-9-22-15-27/h3-6,9,12-16H,2,7-8,10-11H2,1H3,(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90520297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).