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)

C194H378N20O19 — CID 160639204

IUPACmethane;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)
SMILESC.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCCN1CCOCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2.3C13H25NO.C12H24N2O.2C12H23NO.C11H21NO2.C10H20N2O.2C10H19NO.C9H17NO2.CH4/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;2*1-13(2)12-14(16)8-4-7-11-15-9-5-3-6-10-15;1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15;1-12(2)11-13(15)5-3-4-6-14-7-9-16-10-8-14;3*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;2*1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-10(13)12-6-4-11(3)5-7-12;2*1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-3-5-12-6-4-10;/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;3*12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;2*11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;1H4
InChIKeyRIYGHEDCTSKGHL-UHFFFAOYSA-N
MW3295.28 g/mol
LogP34.81
Rot. Bonds80

About 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)

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) (PubChem CID 160639204) has the molecular formula C194H378N20O19 and a molecular weight of 3295.28 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namemethane;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)
PubChem CID160639204
Molecular FormulaC194H378N20O19
Molecular Weight3295.28 g/mol
Exact Mass3292.92
IUPAC Namemethane;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)
SMILESC.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCCN1CCOCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2.3C13H25NO.C12H24N2O.2C12H23NO.C11H21NO2.C10H20N2O.2C10H19NO.C9H17NO2.CH4/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;2*1-13(2)12-14(16)8-4-7-11-15-9-5-3-6-10-15;1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15;1-12(2)11-13(15)5-3-4-6-14-7-9-16-10-8-14;3*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;2*1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-10(13)12-6-4-11(3)5-7-12;2*1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-3-5-12-6-4-10;/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;3*12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;2*11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;1H4
InChIKeyRIYGHEDCTSKGHL-UHFFFAOYSA-N
XLogP34.81
TPSA365.61 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds80
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003295.28
LogP ≤ 534.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is C.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCCN1CCOCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1.
What is the InChIKey of 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)?
The InChIKey is RIYGHEDCTSKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2.3C13H25NO.C12H24N2O.2C12H23NO.C11H21NO2.C10H20N2O.2C10H19NO.C9H17NO2.CH4/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;2*1-13(2)12-14(16)8-4-7-11-15-9-5-3-6-10-15;1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15;1-12(2)11-13(15)5-3-4-6-14-7-9-16-10-8-14;3*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;2*1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-10(13)12-6-4-11(3)5-7-12;2*1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-3-5-12-6-4-10;/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;3*12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;2*11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;1H4.
What are the key properties of 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)?
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) has a molecular weight of 3295.28 g/mol, XLogP of 34.81, 80 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 160639204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).