methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)

C33H72N12O4 — CID 157327640

IUPACmethane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)
SMILESC.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1
InChIInChI=1S/4C8H17N3O.CH4/c4*1-9-8(12)7-11-5-3-10(2)4-6-11;/h4*3-7H2,1-2H3,(H,9,12);1H4
InChIKeyBEXMKOVORWLHAR-UHFFFAOYSA-N
MW701.02 g/mol
LogP-3.44
Rot. Bonds8

About methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)

methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide) (PubChem CID 157327640) has the molecular formula C33H72N12O4 and a molecular weight of 701.02 g/mol. Its IUPAC name is methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide).

Molecular Properties

Compound Namemethane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)
PubChem CID157327640
Molecular FormulaC33H72N12O4
Molecular Weight701.02 g/mol
Exact Mass700.58
IUPAC Namemethane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)
SMILESC.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1
InChIInChI=1S/4C8H17N3O.CH4/c4*1-9-8(12)7-11-5-3-10(2)4-6-11;/h4*3-7H2,1-2H3,(H,9,12);1H4
InChIKeyBEXMKOVORWLHAR-UHFFFAOYSA-N
XLogP-3.44
TPSA142.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.02
LogP ≤ 5-3.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

2-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-piperazin-1-ylethanone
CID 59839611
4-[2-[3,5-Dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione
CID 70517213
4-[(2S)-1-(3,5-dioxopiperazin-1-yl)propan-2-yl]-1-methylpiperazine-2,6-dione;1-methyl-4-[(2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 145508112
methane;tris(N-methyl-2-(4-methylpiperazin-1-yl)acetamide);2-(4-methylpiperazin-1-yl)acetohydrazide
CID 157091663
tert-butyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;bis(N,N-dimethyl-2-piperazin-1-ylacetamide)
CID 157211596
Sodium;1,4-dimethylpiperazin-2-one;hydride;methanol;1-methylpiperazin-2-one;4-methylpiperazin-2-one;piperazin-2-one
CID 157685537
bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)
CID 158557490
1-((1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;1-((1,4-15N2)1,4-diazinan-1-yl)(213C)propan-2-one;1-piperazin-1-yl(113C)propan-2-(18O)one;1-piperazin-1-yl(213C)propan-2-(18O)one
CID 158557491
1-Tert-butyl-4-methylpiperazine;1-tert-butylpiperazine;2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158685661
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 158995902
CID 159169093
CID 159169093
3-[4-(2-Cyanoethyl)-2,5-dioxopiperazin-1-yl]propanenitrile;3-[4-(2-cyanoethyl)piperazin-1-yl]propanenitrile;piperazine;piperazine-2,5-dione
CID 159823372

Frequently Asked Questions

What is the IUPAC name of methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)?
The IUPAC name of methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide) (CID 157327640) is methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide).
What is the SMILES notation for methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)?
The canonical SMILES for methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide) is C.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1.CNC(=O)CN1CCN(C)CC1.
What is the InChIKey of methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)?
The InChIKey is BEXMKOVORWLHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H17N3O.CH4/c4*1-9-8(12)7-11-5-3-10(2)4-6-11;/h4*3-7H2,1-2H3,(H,9,12);1H4.
What are the key properties of methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)?
methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide) has a molecular weight of 701.02 g/mol, XLogP of -3.44, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide) is sourced from PubChem (CID 157327640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).