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

C15H14Cl2N4O — CID 42023174

IUPAC(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H14Cl2N4O/c16-12-3-1-2-11(14(12)17)15(22)21-8-6-20(7-9-21)13-10-18-4-5-19-13/h1-5,10H,6-9H2
InChIKeyOXSVEAACTKFMAA-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.75
Rot. Bonds2

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

(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42023174) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42023174
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H14Cl2N4O/c16-12-3-1-2-11(14(12)17)15(22)21-8-6-20(7-9-21)13-10-18-4-5-19-13/h1-5,10H,6-9H2
InChIKeyOXSVEAACTKFMAA-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone
CID 123699237
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 107244924
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
(4-amino-5-chloro-2-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119854137
(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371366

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42023174) is (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OXSVEAACTKFMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-12-3-1-2-11(14(12)17)15(22)21-8-6-20(7-9-21)13-10-18-4-5-19-13/h1-5,10H,6-9H2.
What are the key properties of (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 337.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).