[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C24H32N4O — CID 109205121

IUPAC[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3ccnc(C(=O)N4CCC(C)CC4)c3)CC2)c1C
InChIInChI=1S/C24H32N4O/c1-18-8-11-28(12-9-18)24(29)22-17-21(7-10-25-22)26-13-15-27(16-14-26)23-6-4-5-19(2)20(23)3/h4-7,10,17-18H,8-9,11-16H2,1-3H3
InChIKeyGWCUDIIRXLHRNV-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.90
Rot. Bonds3

About [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205121) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205121
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3ccnc(C(=O)N4CCC(C)CC4)c3)CC2)c1C
InChIInChI=1S/C24H32N4O/c1-18-8-11-28(12-9-18)24(29)22-17-21(7-10-25-22)26-13-15-27(16-14-26)23-6-4-5-19(2)20(23)3/h4-7,10,17-18H,8-9,11-16H2,1-3H3
InChIKeyGWCUDIIRXLHRNV-UHFFFAOYSA-N
XLogP3.90
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275056
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 109201209
[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109310408
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109216089
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205121) is [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(N2CCN(c3ccnc(C(=O)N4CCC(C)CC4)c3)CC2)c1C.
What is the InChIKey of [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GWCUDIIRXLHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18-8-11-28(12-9-18)24(29)22-17-21(7-10-25-22)26-13-15-27(16-14-26)23-6-4-5-19(2)20(23)3/h4-7,10,17-18H,8-9,11-16H2,1-3H3.
What are the key properties of [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 392.55 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).