(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C17H20N4O — CID 42023194

IUPAC(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H20N4O/c1-13-9-14(2)11-15(10-13)17(22)21-7-5-20(6-8-21)16-12-18-3-4-19-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyKPQPUIDOAIOWFK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.06
Rot. Bonds2

About (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42023194) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42023194
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H20N4O/c1-13-9-14(2)11-15(10-13)17(22)21-7-5-20(6-8-21)16-12-18-3-4-19-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyKPQPUIDOAIOWFK-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
(3-bromo-4-hydroxy-5-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145986
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
(3-bromo-4-ethoxy-5-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022240
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42023194) is (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KPQPUIDOAIOWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-9-14(2)11-15(10-13)17(22)21-7-5-20(6-8-21)16-12-18-3-4-19-16/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42023194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).