ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

C57H112N10O9 — CID 177322202

IUPACethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CC(=O)N(C)CCOCCOCCOCCOCCOCCC(=O)N1CCN(CC2CCN(C)CC2)CC1.CC(=O)N1CCN(CC2CCN(C)CC2)CC1.CCCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C27H52N4O7.C15H29N3O.C13H25N3O.C2H6/c1-25(32)29(3)13-15-35-17-19-37-21-23-38-22-20-36-18-16-34-14-6-27(33)31-11-9-30(10-12-31)24-26-4-7-28(2)8-5-26;1-3-4-15(19)18-11-9-17(10-12-18)13-14-5-7-16(2)8-6-14;1-12(17)16-9-7-15(8-10-16)11-13-3-5-14(2)6-4-13;1-2/h26H,4-24H2,1-3H3;14H,3-13H2,1-2H3;13H,3-11H2,1-2H3;1-2H3
InChIKeyKWZOVZKRNCOSPY-UHFFFAOYSA-N
MW1081.58 g/mol
LogP3.21
Rot. Bonds26

About ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 177322202) has the molecular formula C57H112N10O9 and a molecular weight of 1081.58 g/mol. Its IUPAC name is ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID177322202
Molecular FormulaC57H112N10O9
Molecular Weight1081.58 g/mol
Exact Mass1080.86
IUPAC Nameethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CC(=O)N(C)CCOCCOCCOCCOCCOCCC(=O)N1CCN(CC2CCN(C)CC2)CC1.CC(=O)N1CCN(CC2CCN(C)CC2)CC1.CCCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C27H52N4O7.C15H29N3O.C13H25N3O.C2H6/c1-25(32)29(3)13-15-35-17-19-37-21-23-38-22-20-36-18-16-34-14-6-27(33)31-11-9-30(10-12-31)24-26-4-7-28(2)8-5-26;1-3-4-15(19)18-11-9-17(10-12-18)13-14-5-7-16(2)8-6-14;1-12(17)16-9-7-15(8-10-16)11-13-3-5-14(2)6-4-13;1-2/h26H,4-24H2,1-3H3;14H,3-13H2,1-2H3;13H,3-11H2,1-2H3;1-2H3
InChIKeyKWZOVZKRNCOSPY-UHFFFAOYSA-N
XLogP3.21
TPSA146.83 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.58
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-[2-(1-acetylpiperidin-4-yl)ethyl]-N-methylacetamide;2-(dimethylamino)-1-piperidin-1-ylethanone;N-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine;N-ethyl-2-(3-methoxypiperidin-1-yl)-N-methylethanamine;N-ethyl-2-(4-methoxypiperidin-1-yl)-N-methylethanamine;2-[ethyl(methyl)amino]-1-(4-ethylpiperazin-1-yl)ethanone;1-[4-[2-[ethyl(methyl)amino]ethyl]piperidin-1-yl]ethanone;N-ethyl-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-(2-piperidin-1-ylethyl)acetamide
CID 158586137
2,2-Dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperazin-2-one;1-(2,2-dimethylpropyl)-4-methylpiperidine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 161813479
1-(2,2-Dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 167581654
N-methyl-N-[2-[2-[2-[2-[2-[3-oxo-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;2-(4-methylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170620629
2-(4-Ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170620687
Ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 177321829

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 177322202) is ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CC.CC(=O)N(C)CCOCCOCCOCCOCCOCCC(=O)N1CCN(CC2CCN(C)CC2)CC1.CC(=O)N1CCN(CC2CCN(C)CC2)CC1.CCCC(=O)N1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is KWZOVZKRNCOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N4O7.C15H29N3O.C13H25N3O.C2H6/c1-25(32)29(3)13-15-35-17-19-37-21-23-38-22-20-36-18-16-34-14-6-27(33)31-11-9-30(10-12-31)24-26-4-7-28(2)8-5-26;1-3-4-15(19)18-11-9-17(10-12-18)13-14-5-7-16(2)8-6-14;1-12(17)16-9-7-15(8-10-16)11-13-3-5-14(2)6-4-13;1-2/h26H,4-24H2,1-3H3;14H,3-13H2,1-2H3;13H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 1081.58 g/mol, XLogP of 3.21, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[2-[2-[2-[2-[2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]butan-1-one;1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 177322202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).