ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one

C31H61N5O2 — CID 160536859

IUPACethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCC(N2CCN(C)CC2)CC1.CC1CCN(C2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O.C14H27N3O.C2H6/c1-12(2)15(18)17-10-6-14(7-11-17)16-8-4-13(3)5-9-16;1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;1-2/h12-14H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;1-2H3
InChIKeyQWGPFETVMCLASD-UHFFFAOYSA-N
MW535.86 g/mol
LogP4.27
Rot. Bonds4

About ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one

ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 160536859) has the molecular formula C31H61N5O2 and a molecular weight of 535.86 g/mol. Its IUPAC name is ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one
PubChem CID160536859
Molecular FormulaC31H61N5O2
Molecular Weight535.86 g/mol
Exact Mass535.48
IUPAC Nameethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCC(N2CCN(C)CC2)CC1.CC1CCN(C2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O.C14H27N3O.C2H6/c1-12(2)15(18)17-10-6-14(7-11-17)16-8-4-13(3)5-9-16;1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;1-2/h12-14H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;1-2H3
InChIKeyQWGPFETVMCLASD-UHFFFAOYSA-N
XLogP4.27
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
CID 176558181
1-[4-[[1-[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one;ethane
CID 176558567
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone
CID 176558182
1-[4-[[1-[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 176558568
1-(3,5-Dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229560
2-Ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one
CID 42881407
(1-Butylpiperidin-4-yl)-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 21135909
1-(4-Cyclobutylpiperazin-1-yl)-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethanone
CID 57513904
1-(4-Cyclohexylpiperazin-1-yl)-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethanone
CID 57513906
2-[4-(4-Methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826210

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one (CID 160536859) is ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one is CC.CC(C)C(=O)N1CCC(N2CCN(C)CC2)CC1.CC1CCN(C2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is QWGPFETVMCLASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.C14H27N3O.C2H6/c1-12(2)15(18)17-10-6-14(7-11-17)16-8-4-13(3)5-9-16;1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;1-2/h12-14H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one?
ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 535.86 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 160536859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).