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

C68H128N8O8 — CID 159943538

IUPAC2-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
SMILESCC(C)C(=O)CCCCN1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)CCCCN1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)CCCCN1CCN(C(=O)CC(C)C)CC1.CC(C)CC(=O)N1CCN(CCCCC(=O)C(C)C)CC1
InChIInChI=1S/C18H34N2O2.2C17H32N2O2.C16H30N2O2/c1-15(2)13-17(21)7-5-6-8-19-9-11-20(12-10-19)18(22)14-16(3)4;1-14(2)13-17(21)19-11-9-18(10-12-19)8-6-5-7-16(20)15(3)4;1-14(2)13-16(20)7-5-6-8-18-9-11-19(12-10-18)17(21)15(3)4;1-13(2)15(19)7-5-6-8-17-9-11-18(12-10-17)16(20)14(3)4/h15-16H,5-14H2,1-4H3;2*14-15H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3
InChIKeyOBESTKSPQPXAAO-UHFFFAOYSA-N
MW1185.82 g/mol
LogP10.29
Rot. Bonds32

About 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

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 (PubChem CID 159943538) has the molecular formula C68H128N8O8 and a molecular weight of 1185.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159943538
Molecular FormulaC68H128N8O8
Molecular Weight1185.82 g/mol
Exact Mass1184.99
IUPAC Name2-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
SMILESCC(C)C(=O)CCCCN1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)CCCCN1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)CCCCN1CCN(C(=O)CC(C)C)CC1.CC(C)CC(=O)N1CCN(CCCCC(=O)C(C)C)CC1
InChIInChI=1S/C18H34N2O2.2C17H32N2O2.C16H30N2O2/c1-15(2)13-17(21)7-5-6-8-19-9-11-20(12-10-19)18(22)14-16(3)4;1-14(2)13-17(21)19-11-9-18(10-12-19)8-6-5-7-16(20)15(3)4;1-14(2)13-16(20)7-5-6-8-18-9-11-19(12-10-18)17(21)15(3)4;1-13(2)15(19)7-5-6-8-17-9-11-18(12-10-17)16(20)14(3)4/h15-16H,5-14H2,1-4H3;2*14-15H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3
InChIKeyOBESTKSPQPXAAO-UHFFFAOYSA-N
XLogP10.29
TPSA162.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.82
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
CID 157701880
1-Ethyl-4-methylpiperazine;4-ethyl-1-methylpiperidine;1-(4-methylcyclohexyl)propan-1-one;1-(1-methylpiperidin-4-yl)butan-2-one;1-(4-methylpiperidin-1-yl)propan-1-one;1-methyl-4-propylpiperidine
CID 157987383
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
CID 158419372
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
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
bis(N,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide);ethane;bis(3-methyl-1-(1-methylpiperidin-4-yl)butan-2-one)
CID 160395209
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
1-(4-Butylpiperazin-1-yl)ethanone;1-(4-butylpiperidin-1-yl)ethanone;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-ethylpiperidin-1-yl)ethanone;1-(4-heptylpiperazin-1-yl)ethanone;1-(4-heptylpiperidin-1-yl)ethanone;1-(4-hexylpiperazin-1-yl)ethanone;1-(4-hexylpiperidin-1-yl)ethanone;1-(4-pentylpiperazin-1-yl)ethanone;1-(4-pentylpiperidin-1-yl)ethanone;1-(4-propylpiperazin-1-yl)ethanone;1-(4-propylpiperidin-1-yl)ethanone
CID 161830187
1-(4-Ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine
CID 162095432
CID 177426627
CID 177426627

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)CCCCN1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)CCCCN1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)CCCCN1CCN(C(=O)CC(C)C)CC1.CC(C)CC(=O)N1CCN(CCCCC(=O)C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is OBESTKSPQPXAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2.2C17H32N2O2.C16H30N2O2/c1-15(2)13-17(21)7-5-6-8-19-9-11-20(12-10-19)18(22)14-16(3)4;1-14(2)13-17(21)19-11-9-18(10-12-19)8-6-5-7-16(20)15(3)4;1-14(2)13-16(20)7-5-6-8-18-9-11-19(12-10-18)17(21)15(3)4;1-13(2)15(19)7-5-6-8-17-9-11-18(12-10-17)16(20)14(3)4/h15-16H,5-14H2,1-4H3;2*14-15H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1185.82 g/mol, XLogP of 10.29, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159943538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).