acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone

C28H64N8O6 — CID 160510205

IUPACacetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)CC1.CC(=O)N1CCN(C)CC1.CC(N)=O.CC(N)=O.CN.CNC(C)=O.CNC(C)=O
InChIInChI=1S/C8H15NO.C7H14N2O.2C3H7NO.2C2H5NO.C2H6.CH5N/c1-7-3-5-9(6-4-7)8(2)10;1-7(10)9-5-3-8(2)4-6-9;2*1-3(5)4-2;2*1-2(3)4;2*1-2/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1-2H3,(H,4,5);2*1H3,(H2,3,4);1-2H3;2H2,1H3
InChIKeyQSYHYXLBTYZSLE-UHFFFAOYSA-N
MW608.87 g/mol
LogP0.13
Rot. Bonds

About acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone

acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 160510205) has the molecular formula C28H64N8O6 and a molecular weight of 608.87 g/mol. Its IUPAC name is acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameacetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
PubChem CID160510205
Molecular FormulaC28H64N8O6
Molecular Weight608.87 g/mol
Exact Mass608.49
IUPAC Nameacetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)CC1.CC(=O)N1CCN(C)CC1.CC(N)=O.CC(N)=O.CN.CNC(C)=O.CNC(C)=O
InChIInChI=1S/C8H15NO.C7H14N2O.2C3H7NO.2C2H5NO.C2H6.CH5N/c1-7-3-5-9(6-4-7)8(2)10;1-7(10)9-5-3-8(2)4-6-9;2*1-3(5)4-2;2*1-2(3)4;2*1-2/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1-2H3,(H,4,5);2*1H3,(H2,3,4);1-2H3;2H2,1H3
InChIKeyQSYHYXLBTYZSLE-UHFFFAOYSA-N
XLogP0.13
TPSA214.26 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.87
LogP ≤ 50.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(diethylamino)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245025
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517
1-[[1-(3,3-Dimethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281021
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182
1-(cyclopropanecarbonyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501644
1-(2,2-dimethylpropanoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501765
1-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501889

Frequently Asked Questions

What is the IUPAC name of acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone (CID 160510205) is acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone is CC.CC(=O)N1CCC(C)CC1.CC(=O)N1CCN(C)CC1.CC(N)=O.CC(N)=O.CN.CNC(C)=O.CNC(C)=O.
What is the InChIKey of acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is QSYHYXLBTYZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H14N2O.2C3H7NO.2C2H5NO.C2H6.CH5N/c1-7-3-5-9(6-4-7)8(2)10;1-7(10)9-5-3-8(2)4-6-9;2*1-3(5)4-2;2*1-2(3)4;2*1-2/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*1-2H3,(H,4,5);2*1H3,(H2,3,4);1-2H3;2H2,1H3.
What are the key properties of acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 608.87 g/mol, XLogP of 0.13, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 160510205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).