2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride

C18H24Cl2N4O — CID 120640034

IUPAC2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1ccccc1N1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl.Cl
InChIInChI=1S/C18H22N4O.2ClH/c1-14-4-2-3-5-17(14)21-8-10-22(11-9-21)18(23)12-16-7-6-15(19)13-20-16;;/h2-7,13H,8-12,19H2,1H3;2*1H
InChIKeyMMEORJOUCQRLQL-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.71
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride

2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 120640034) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID120640034
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1ccccc1N1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl.Cl
InChIInChI=1S/C18H22N4O.2ClH/c1-14-4-2-3-5-17(14)21-8-10-22(11-9-21)18(23)12-16-7-6-15(19)13-20-16;;/h2-7,13H,8-12,19H2,1H3;2*1H
InChIKeyMMEORJOUCQRLQL-UHFFFAOYSA-N
XLogP2.71
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 120639325
2-(5-amino-2-pyridinyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 120617310
2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120639461
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 120640034) is 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride is Cc1ccccc1N1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is MMEORJOUCQRLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.2ClH/c1-14-4-2-3-5-17(14)21-8-10-22(11-9-21)18(23)12-16-7-6-15(19)13-20-16;;/h2-7,13H,8-12,19H2,1H3;2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120640034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).