1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride

C15H25Cl2N5O — CID 119402906

IUPAC1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(c2ccccn2)CC1)N1CCNCC1
InChIInChI=1S/C15H23N5O.2ClH/c21-15(20-7-5-16-6-8-20)13-18-9-11-19(12-10-18)14-3-1-2-4-17-14;;/h1-4,16H,5-13H2;2*1H
InChIKeyKQPQGGCBNRWTQX-UHFFFAOYSA-N
MW362.31 g/mol
LogP0.48
Rot. Bonds3

About 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride

1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 119402906) has the molecular formula C15H25Cl2N5O and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID119402906
Molecular FormulaC15H25Cl2N5O
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC Name1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(c2ccccn2)CC1)N1CCNCC1
InChIInChI=1S/C15H23N5O.2ClH/c21-15(20-7-5-16-6-8-20)13-18-9-11-19(12-10-18)14-3-1-2-4-17-14;;/h1-4,16H,5-13H2;2*1H
InChIKeyKQPQGGCBNRWTQX-UHFFFAOYSA-N
XLogP0.48
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
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1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
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1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
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CID 119393580
1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
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1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
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1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120659139
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride (CID 119402906) is 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride is Cl.Cl.O=C(CN1CCN(c2ccccn2)CC1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is KQPQGGCBNRWTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.2ClH/c21-15(20-7-5-16-6-8-20)13-18-9-11-19(12-10-18)14-3-1-2-4-17-14;;/h1-4,16H,5-13H2;2*1H.
What are the key properties of 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 362.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119402906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).