bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)

C48H93N9O9 — CID 157183764

IUPACbis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)
SMILESCC(=O)N(C)CCN(C)C(C)=O.CC(=O)N(C)CCN(C)C(C)=O.CC(=O)N1CCC(C)CC1.CC(=O)N1CCCCC1.CC(=O)N1CCCCC1.CC(=O)N1CCCCC1.CNC(C)=O
InChIInChI=1S/2C8H16N2O2.C8H15NO.3C7H13NO.C3H7NO/c2*1-7(11)9(3)5-6-10(4)8(2)12;1-7-3-5-9(6-4-7)8(2)10;3*1-7(9)8-5-3-2-4-6-8;1-3(5)4-2/h2*5-6H2,1-4H3;7H,3-6H2,1-2H3;3*2-6H2,1H3;1-2H3,(H,4,5)
InChIKeyAOWHOFRWMRSEQD-UHFFFAOYSA-N
MW940.33 g/mol
LogP3.96
Rot. Bonds6

About bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)

bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone) (PubChem CID 157183764) has the molecular formula C48H93N9O9 and a molecular weight of 940.33 g/mol. Its IUPAC name is bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone).

Molecular Properties

Compound Namebis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)
PubChem CID157183764
Molecular FormulaC48H93N9O9
Molecular Weight940.33 g/mol
Exact Mass939.71
IUPAC Namebis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)
SMILESCC(=O)N(C)CCN(C)C(C)=O.CC(=O)N(C)CCN(C)C(C)=O.CC(=O)N1CCC(C)CC1.CC(=O)N1CCCCC1.CC(=O)N1CCCCC1.CC(=O)N1CCCCC1.CNC(C)=O
InChIInChI=1S/2C8H16N2O2.C8H15NO.3C7H13NO.C3H7NO/c2*1-7(11)9(3)5-6-10(4)8(2)12;1-7-3-5-9(6-4-7)8(2)10;3*1-7(9)8-5-3-2-4-6-8;1-3(5)4-2/h2*5-6H2,1-4H3;7H,3-6H2,1-2H3;3*2-6H2,1H3;1-2H3,(H,4,5)
InChIKeyAOWHOFRWMRSEQD-UHFFFAOYSA-N
XLogP3.96
TPSA191.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500940.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-N-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]acetamide
CID 170620733
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
CID 160510205
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845
[1-(cyanomethylamino)-1-oxopropan-2-yl] piperidine-1-carboxylate;methylcyclohexane
CID 142191385
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
2-[(1-acetylpiperidin-4-yl)-methylamino]-N-methylacetamide
CID 145317126
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
methyl 4-methylazocane-1-carboxylate
CID 91583832

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)?
The IUPAC name of bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone) (CID 157183764) is bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone).
What is the SMILES notation for bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)?
The canonical SMILES for bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone) is CC(=O)N(C)CCN(C)C(C)=O.CC(=O)N(C)CCN(C)C(C)=O.CC(=O)N1CCC(C)CC1.CC(=O)N1CCCCC1.CC(=O)N1CCCCC1.CC(=O)N1CCCCC1.CNC(C)=O.
What is the InChIKey of bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)?
The InChIKey is AOWHOFRWMRSEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2O2.C8H15NO.3C7H13NO.C3H7NO/c2*1-7(11)9(3)5-6-10(4)8(2)12;1-7-3-5-9(6-4-7)8(2)10;3*1-7(9)8-5-3-2-4-6-8;1-3(5)4-2/h2*5-6H2,1-4H3;7H,3-6H2,1-2H3;3*2-6H2,1H3;1-2H3,(H,4,5).
What are the key properties of bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)?
bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone) has a molecular weight of 940.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone) is sourced from PubChem (CID 157183764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).