ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate

C12H21NO4 — CID 2162839

IUPACethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
SMILESCCOCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H21NO4/c1-3-16-9-11(14)13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
InChIKeyDITUOZYWUIOUTQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds5

About ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate

ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate (PubChem CID 2162839) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
PubChem CID2162839
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
SMILESCCOCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H21NO4/c1-3-16-9-11(14)13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
InChIKeyDITUOZYWUIOUTQ-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033
Isonipecotic acid, N-isobutoxycarbonyl-, ethyl ester
CID 21470003
Diethyl piperidine-1,4-dicarboxylate
CID 23084679
Isonipecotic acid, n-butoxycarbonyl-, ethyl ester
CID 68328252
Isonipecotic acid, n-butoxycarbonyl-, butyl ester
CID 68735722

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate (CID 2162839) is ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate is CCOCC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate?
The InChIKey is DITUOZYWUIOUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-16-9-11(14)13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate?
ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 2162839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).