[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C21H27N5O — CID 109273559

IUPAC[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(N2CCN(c3cnc(C(=O)N4CCCC4)cn3)CC2)c1C
InChIInChI=1S/C21H27N5O/c1-16-6-5-7-19(17(16)2)24-10-12-25(13-11-24)20-15-22-18(14-23-20)21(27)26-8-3-4-9-26/h5-7,14-15H,3-4,8-13H2,1-2H3
InChIKeyLXGXRGUNIMNQOJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.66
Rot. Bonds3

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

[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109273559) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID109273559
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(N2CCN(c3cnc(C(=O)N4CCCC4)cn3)CC2)c1C
InChIInChI=1S/C21H27N5O/c1-16-6-5-7-19(17(16)2)24-10-12-25(13-11-24)20-15-22-18(14-23-20)21(27)26-8-3-4-9-26/h5-7,14-15H,3-4,8-13H2,1-2H3
InChIKeyLXGXRGUNIMNQOJ-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.66
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]-(4-methylpiperidin-1-yl)methanone
CID 109275056
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
[5-(4-ethylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273513
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933
4-[5-(azepane-1-carbonyl)pyrazin-2-yl]piperazine-1-carbaldehyde
CID 109278935
[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131851
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 109273559) is [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(N2CCN(c3cnc(C(=O)N4CCCC4)cn3)CC2)c1C.
What is the InChIKey of [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LXGXRGUNIMNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-6-5-7-19(17(16)2)24-10-12-25(13-11-24)20-15-22-18(14-23-20)21(27)26-8-3-4-9-26/h5-7,14-15H,3-4,8-13H2,1-2H3.
What are the key properties of [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.66, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109273559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).