[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone

C23H31N5O — CID 109275056

IUPAC[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3cnc(C(=O)N4CCC(C)CC4)cn3)CC2)c1C
InChIInChI=1S/C23H31N5O/c1-17-7-9-28(10-8-17)23(29)20-15-25-22(16-24-20)27-13-11-26(12-14-27)21-6-4-5-18(2)19(21)3/h4-6,15-17H,7-14H2,1-3H3
InChIKeyFKKZONYPBWCMTL-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.29
Rot. Bonds3

About [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone

[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109275056) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109275056
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3cnc(C(=O)N4CCC(C)CC4)cn3)CC2)c1C
InChIInChI=1S/C23H31N5O/c1-17-7-9-28(10-8-17)23(29)20-15-25-22(16-24-20)27-13-11-26(12-14-27)21-6-4-5-18(2)19(21)3/h4-6,15-17H,7-14H2,1-3H3
InChIKeyFKKZONYPBWCMTL-UHFFFAOYSA-N
XLogP3.29
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205121
(4-methylpiperidin-1-yl)-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109275060
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
(4-ethylpiperazin-1-yl)-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275194
[5-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275086
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933
[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
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290739

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 109275056) is [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(N2CCN(c3cnc(C(=O)N4CCC(C)CC4)cn3)CC2)c1C.
What is the InChIKey of [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is FKKZONYPBWCMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-17-7-9-28(10-8-17)23(29)20-15-25-22(16-24-20)27-13-11-26(12-14-27)21-6-4-5-18(2)19(21)3/h4-6,15-17H,7-14H2,1-3H3.
What are the key properties of [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 393.54 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109275056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).