[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C23H27N7O — CID 90520235

IUPAC[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(c2cc(-n3ccnc3)ncn2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O/c31-23(29-14-12-27(13-15-29)20-4-2-1-3-5-20)19-6-9-28(10-7-19)21-16-22(26-17-25-21)30-11-8-24-18-30/h1-5,8,11,16-19H,6-7,9-10,12-15H2
InChIKeyAZWHOQBCAPRWNV-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.23
Rot. Bonds4

About [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 90520235) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID90520235
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(c2cc(-n3ccnc3)ncn2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O/c31-23(29-14-12-27(13-15-29)20-4-2-1-3-5-20)19-6-9-28(10-7-19)21-16-22(26-17-25-21)30-11-8-24-18-30/h1-5,8,11,16-19H,6-7,9-10,12-15H2
InChIKeyAZWHOQBCAPRWNV-UHFFFAOYSA-N
XLogP2.23
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520340
4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122338234
(4-phenylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600264
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520402
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90520358
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 121073739
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90514724
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90519445
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520409
(2-ethylpiperidin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520223
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214

Frequently Asked Questions

What is the IUPAC name of [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 90520235) is [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(C1CCN(c2cc(-n3ccnc3)ncn2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is AZWHOQBCAPRWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c31-23(29-14-12-27(13-15-29)20-4-2-1-3-5-20)19-6-9-28(10-7-19)21-16-22(26-17-25-21)30-11-8-24-18-30/h1-5,8,11,16-19H,6-7,9-10,12-15H2.
What are the key properties of [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 417.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 90520235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).