1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride

C15H24ClN5O — CID 118741796

IUPAC1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(c2cncc(C3CCNCC3)n2)CC1.Cl
InChIInChI=1S/C15H23N5O.ClH/c1-12(21)19-6-8-20(9-7-19)15-11-17-10-14(18-15)13-2-4-16-5-3-13;/h10-11,13,16H,2-9H2,1H3;1H
InChIKeyCZPAYWMWEYWHJK-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.03
Rot. Bonds2

About 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride

1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 118741796) has the molecular formula C15H24ClN5O and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID118741796
Molecular FormulaC15H24ClN5O
Molecular Weight325.84 g/mol
Exact Mass325.17
IUPAC Name1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(c2cncc(C3CCNCC3)n2)CC1.Cl
InChIInChI=1S/C15H23N5O.ClH/c1-12(21)19-6-8-20(9-7-19)15-11-17-10-14(18-15)13-2-4-16-5-3-13;/h10-11,13,16H,2-9H2,1H3;1H
InChIKeyCZPAYWMWEYWHJK-UHFFFAOYSA-N
XLogP1.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride (CID 118741796) is 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride is CC(=O)N1CCN(c2cncc(C3CCNCC3)n2)CC1.Cl.
What is the InChIKey of 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is CZPAYWMWEYWHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.ClH/c1-12(21)19-6-8-20(9-7-19)15-11-17-10-14(18-15)13-2-4-16-5-3-13;/h10-11,13,16H,2-9H2,1H3;1H.
What are the key properties of 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride?
1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 118741796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).