1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide

C20H22N6O — CID 90520358

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1)c1ccccc1
InChIInChI=1S/C20H22N6O/c1-24(17-5-3-2-4-6-17)20(27)16-7-10-25(11-8-16)18-13-19(23-14-22-18)26-12-9-21-15-26/h2-6,9,12-16H,7-8,10-11H2,1H3
InChIKeyFSCDORXGODFQMP-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.54
Rot. Bonds4

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide (PubChem CID 90520358) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
PubChem CID90520358
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1)c1ccccc1
InChIInChI=1S/C20H22N6O/c1-24(17-5-3-2-4-6-17)20(27)16-7-10-25(11-8-16)18-13-19(23-14-22-18)26-12-9-21-15-26/h2-6,9,12-16H,7-8,10-11H2,1H3
InChIKeyFSCDORXGODFQMP-UHFFFAOYSA-N
XLogP2.54
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90520235
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90519567
(4-benzhydrylpiperazin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520340
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520223
N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600377
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 121073739

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide (CID 90520358) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide is CN(C(=O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1)c1ccccc1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is FSCDORXGODFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24(17-5-3-2-4-6-17)20(27)16-7-10-25(11-8-16)18-13-19(23-14-22-18)26-12-9-21-15-26/h2-6,9,12-16H,7-8,10-11H2,1H3.
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 90520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).