3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)

C114H220N12O10 — CID 159768386

IUPAC3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)
SMILESCC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCN(C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/2C13H25NO.C12H24N2O.3C12H23NO.C10H20N2O.3C10H19NO/c2*1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-11(2)10-12(15)4-5-14-8-6-13(3)7-9-14;3*1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;1-9(2)8-10(13)12-6-4-11(3)5-7-12;3*1-9(2)8-10(12)11-6-4-3-5-7-11/h2*12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;3*11H,3-10H2,1-2H3;9H,4-8H2,1-3H3;3*9H,3-8H2,1-2H3
InChIKeyNFUKNQAXUQRLMW-UHFFFAOYSA-N
MW1919.09 g/mol
LogP21.35
Rot. Bonds40

About 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)

3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one) (PubChem CID 159768386) has the molecular formula C114H220N12O10 and a molecular weight of 1919.09 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one).

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)
PubChem CID159768386
Molecular FormulaC114H220N12O10
Molecular Weight1919.09 g/mol
Exact Mass1917.71
IUPAC Name3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)
SMILESCC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCN(C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/2C13H25NO.C12H24N2O.3C12H23NO.C10H20N2O.3C10H19NO/c2*1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-11(2)10-12(15)4-5-14-8-6-13(3)7-9-14;3*1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;1-9(2)8-10(13)12-6-4-11(3)5-7-12;3*1-9(2)8-10(12)11-6-4-3-5-7-11/h2*12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;3*11H,3-10H2,1-2H3;9H,4-8H2,1-3H3;3*9H,3-8H2,1-2H3
InChIKeyNFUKNQAXUQRLMW-UHFFFAOYSA-N
XLogP21.35
TPSA209.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001919.09
LogP ≤ 521.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one) with MolForge

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Launch Full Analysis

Related Compounds

3-Methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)
CID 157337141
2,2-Dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)heptan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;1-(4-methylpiperazin-1-yl)pentan-1-one;1-(4-methylpiperazin-1-yl)propan-1-one
CID 157421676
Methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;bis(3-methyl-1-piperidin-1-ylbutan-2-one);bis(2-methyl-7-piperidin-1-ylheptan-3-one);bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)
CID 159440177
2-Methyl-7-[4-(3-methylbutanoyl)piperazin-1-yl]heptan-3-one;2-methyl-8-[4-(3-methylbutanoyl)piperazin-1-yl]octan-4-one;2-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]heptan-3-one;2-methyl-8-[4-(2-methylpropanoyl)piperazin-1-yl]octan-4-one
CID 159943538
Methane;2-methyl-7-[4-(3-methylbutanoyl)piperazin-1-yl]heptan-3-one;2-methyl-8-[4-(3-methylbutanoyl)piperazin-1-yl]octan-4-one;2-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]heptan-3-one;2-methyl-8-[4-(2-methylpropanoyl)piperazin-1-yl]octan-4-one
CID 160292522
Methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;3-methyl-1-morpholin-4-ylbutan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;2-methyl-8-morpholin-4-yloctan-4-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);tris(6-methyl-1-piperidin-1-ylheptan-4-one);bis(5-methyl-1-piperidin-1-ylhexan-3-one);bis(2-methyl-8-piperidin-1-yloctan-4-one)
CID 160639204
1-Amino-3-methylbutan-2-one;1-amino-4-methylpentan-3-one;methane;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperazin-1-ylbutan-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-piperazin-1-ylpentan-3-one;bis(2-methyl-1-piperazin-1-ylpropan-1-one)
CID 161006480
1-(4-Butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 161007172
1-Amino-3-methylbutan-2-one;1-amino-4-methylpentan-3-one;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperazin-1-ylbutan-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-piperazin-1-ylpentan-3-one;bis(2-methyl-1-piperazin-1-ylpropan-1-one)
CID 161016065
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 161253685
Methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)
CID 161440179
3-Methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;bis(3-methyl-1-piperidin-1-ylbutan-2-one);bis(2-methyl-7-piperidin-1-ylheptan-3-one);bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)
CID 161757569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)?
The IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one) (CID 159768386) is 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one).
What is the SMILES notation for 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)?
The canonical SMILES for 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one) is CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCN(C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)?
The InChIKey is NFUKNQAXUQRLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25NO.C12H24N2O.3C12H23NO.C10H20N2O.3C10H19NO/c2*1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-11(2)10-12(15)4-5-14-8-6-13(3)7-9-14;3*1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;1-9(2)8-10(13)12-6-4-11(3)5-7-12;3*1-9(2)8-10(12)11-6-4-3-5-7-11/h2*12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;3*11H,3-10H2,1-2H3;9H,4-8H2,1-3H3;3*9H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one)?
3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one) has a molecular weight of 1919.09 g/mol, XLogP of 21.35, 40 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;tris(3-methyl-1-piperidin-1-ylbutan-1-one);bis(6-methyl-1-piperidin-1-ylheptan-4-one);tris(5-methyl-1-piperidin-1-ylhexan-3-one) is sourced from PubChem (CID 159768386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).