ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate

C13H24N2O4 — CID 176554247

IUPACethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate
SMILESCCOCC(=O)N1CCC(N(C)C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O4/c1-4-18-10-12(16)15-8-6-11(7-9-15)14(3)13(17)19-5-2/h11H,4-10H2,1-3H3
InChIKeyZNBLVPYRZJQQOA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.10
Rot. Bonds5

About ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate

ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 176554247) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate
PubChem CID176554247
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate
SMILESCCOCC(=O)N1CCC(N(C)C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O4/c1-4-18-10-12(16)15-8-6-11(7-9-15)14(3)13(17)19-5-2/h11H,4-10H2,1-3H3
InChIKeyZNBLVPYRZJQQOA-UHFFFAOYSA-N
XLogP1.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
CID 123982120
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 64592292
ethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 79121309
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 61242500
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
CID 60712478
ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
CID 79122099

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate (CID 176554247) is ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate is CCOCC(=O)N1CCC(N(C)C(=O)OCC)CC1.
What is the InChIKey of ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is ZNBLVPYRZJQQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-18-10-12(16)15-8-6-11(7-9-15)14(3)13(17)19-5-2/h11H,4-10H2,1-3H3.
What are the key properties of ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate?
ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 272.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 176554247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).