2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

C22H37Cl2N5O2 — CID 170861434

IUPAC2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCN1CCN(CC(=O)N2CCN(c3ccc(OC4CCNCC4)cc3)CC2)CC1.Cl.Cl
InChIInChI=1S/C22H35N5O2.2ClH/c1-24-10-12-25(13-11-24)18-22(28)27-16-14-26(15-17-27)19-2-4-20(5-3-19)29-21-6-8-23-9-7-21;;/h2-5,21,23H,6-18H2,1H3;2*1H
InChIKeyCGSDMOGBRPDGJW-UHFFFAOYSA-N
MW474.48 g/mol
LogP1.56
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 170861434) has the molecular formula C22H37Cl2N5O2 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID170861434
Molecular FormulaC22H37Cl2N5O2
Molecular Weight474.48 g/mol
Exact Mass473.23
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCN1CCN(CC(=O)N2CCN(c3ccc(OC4CCNCC4)cc3)CC2)CC1.Cl.Cl
InChIInChI=1S/C22H35N5O2.2ClH/c1-24-10-12-25(13-11-24)18-22(28)27-16-14-26(15-17-27)19-2-4-20(5-3-19)29-21-6-8-23-9-7-21;;/h2-5,21,23H,6-18H2,1H3;2*1H
InChIKeyCGSDMOGBRPDGJW-UHFFFAOYSA-N
XLogP1.56
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone
CID 170861431
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone
CID 26191624
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 170861434) is 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is CN1CCN(CC(=O)N2CCN(c3ccc(OC4CCNCC4)cc3)CC2)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is CGSDMOGBRPDGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2.2ClH/c1-24-10-12-25(13-11-24)18-22(28)27-16-14-26(15-17-27)19-2-4-20(5-3-19)29-21-6-8-23-9-7-21;;/h2-5,21,23H,6-18H2,1H3;2*1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 474.48 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 170861434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).