ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide

C17H38N4O — CID 142367954

IUPACethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCC.CC.CNC(=O)CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O.2C2H6/c1-14-13(18)11-16-5-3-12(4-6-16)17-9-7-15(2)8-10-17;2*1-2/h12H,3-11H2,1-2H3,(H,14,18);2*1-2H3
InChIKeyNTFVGCYBWMNDDI-UHFFFAOYSA-N
MW314.52 g/mol
LogP1.50
Rot. Bonds3

About ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide

ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 142367954) has the molecular formula C17H38N4O and a molecular weight of 314.52 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
PubChem CID142367954
Molecular FormulaC17H38N4O
Molecular Weight314.52 g/mol
Exact Mass314.30
IUPAC Nameethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCC.CC.CNC(=O)CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O.2C2H6/c1-14-13(18)11-16-5-3-12(4-6-16)17-9-7-15(2)8-10-17;2*1-2/h12H,3-11H2,1-2H3,(H,14,18);2*1-2H3
InChIKeyNTFVGCYBWMNDDI-UHFFFAOYSA-N
XLogP1.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
N-methyl-2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]piperidin-1-yl]acetamide
CID 43691453
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 166167704
2-(4-methylpiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 171586521
1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine
CID 174302518
2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide
CID 121185551
2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
CID 82853286
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide
CID 121020389

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide (CID 142367954) is ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide is CC.CC.CNC(=O)CN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is NTFVGCYBWMNDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.2C2H6/c1-14-13(18)11-16-5-3-12(4-6-16)17-9-7-15(2)8-10-17;2*1-2/h12H,3-11H2,1-2H3,(H,14,18);2*1-2H3.
What are the key properties of ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 314.52 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 142367954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).