[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C25H31N7O — CID 90520402

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCN(c4cc(-n5ccnc5)ncn4)CC3)CC2)c1
InChIInChI=1S/C25H31N7O/c1-19-3-4-20(2)22(15-19)29-11-13-31(14-12-29)25(33)21-5-8-30(9-6-21)23-16-24(28-17-27-23)32-10-7-26-18-32/h3-4,7,10,15-18,21H,5-6,8-9,11-14H2,1-2H3
InChIKeyPOKDZOAZUMTYFF-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.84
Rot. Bonds4

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 90520402) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID90520402
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCN(c4cc(-n5ccnc5)ncn4)CC3)CC2)c1
InChIInChI=1S/C25H31N7O/c1-19-3-4-20(2)22(15-19)29-11-13-31(14-12-29)25(33)21-5-8-30(9-6-21)23-16-24(28-17-27-23)32-10-7-26-18-32/h3-4,7,10,15-18,21H,5-6,8-9,11-14H2,1-2H3
InChIKeyPOKDZOAZUMTYFF-UHFFFAOYSA-N
XLogP2.84
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90520235
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 52993038
(4-benzhydrylpiperazin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520340
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600537
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600783
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520409
4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122338234
(1-cyclopropylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 138993514
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839301
(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 [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 90520402) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4cc(-n5ccnc5)ncn4)CC3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is POKDZOAZUMTYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-19-3-4-20(2)22(15-19)29-11-13-31(14-12-29)25(33)21-5-8-30(9-6-21)23-16-24(28-17-27-23)32-10-7-26-18-32/h3-4,7,10,15-18,21H,5-6,8-9,11-14H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 445.57 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 90520402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).