ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide

C14H31N3O2 — CID 177054985

IUPACethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
SMILESCC.CNCCOCCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H25N3O2.C2H6/c1-13-5-9-17-10-6-14-12(16)11-3-7-15(2)8-4-11;1-2/h11,13H,3-10H2,1-2H3,(H,14,16);1-2H3
InChIKeyNRNYCERWMQLVPJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.71
Rot. Bonds7

About ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide

ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide (PubChem CID 177054985) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
PubChem CID177054985
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Nameethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
SMILESCC.CNCCOCCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H25N3O2.C2H6/c1-13-5-9-17-10-6-14-12(16)11-3-7-15(2)8-4-11;1-2/h11,13H,3-10H2,1-2H3,(H,14,16);1-2H3
InChIKeyNRNYCERWMQLVPJ-UHFFFAOYSA-N
XLogP0.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 62656990
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate
CID 167046629
N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
CID 99970726

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide (CID 177054985) is ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide is CC.CNCCOCCNC(=O)C1CCN(C)CC1.
What is the InChIKey of ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide?
The InChIKey is NRNYCERWMQLVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.C2H6/c1-13-5-9-17-10-6-14-12(16)11-3-7-15(2)8-4-11;1-2/h11,13H,3-10H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide?
ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 177054985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).