[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride

C15H17Cl3N4O — CID 120802029

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1cnccn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O.2ClH/c16-12-3-1-2-11(8-12)14-10-18-6-7-20(14)15(21)13-9-17-4-5-19-13;;/h1-5,8-9,14,18H,6-7,10H2;2*1H
InChIKeyFZIZYSJXALVOFU-UHFFFAOYSA-N
MW375.69 g/mol
LogP2.76
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride

[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride (PubChem CID 120802029) has the molecular formula C15H17Cl3N4O and a molecular weight of 375.69 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
PubChem CID120802029
Molecular FormulaC15H17Cl3N4O
Molecular Weight375.69 g/mol
Exact Mass374.05
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1cnccn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O.2ClH/c16-12-3-1-2-11(8-12)14-10-18-6-7-20(14)15(21)13-9-17-4-5-19-13;;/h1-5,8-9,14,18H,6-7,10H2;2*1H
InChIKeyFZIZYSJXALVOFU-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
CID 120803031
[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 120803215
[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride (CID 120802029) is [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(c1cnccn1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride?
The InChIKey is FZIZYSJXALVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O.2ClH/c16-12-3-1-2-11(8-12)14-10-18-6-7-20(14)15(21)13-9-17-4-5-19-13;;/h1-5,8-9,14,18H,6-7,10H2;2*1H.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride?
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride has a molecular weight of 375.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 120802029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).