ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate

C13H21NO3 — CID 43404255

IUPACethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11-6-8-14(9-7-11)12(15)10-4-3-5-10/h10-11H,2-9H2,1H3
InChIKeyMNBAFHUDEVEPRX-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.59
Rot. Bonds3

About ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate

ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate (PubChem CID 43404255) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate
PubChem CID43404255
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11-6-8-14(9-7-11)12(15)10-4-3-5-10/h10-11H,2-9H2,1H3
InChIKeyMNBAFHUDEVEPRX-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(cyclobutanecarbonyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate (CID 43404255) is ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate?
The InChIKey is MNBAFHUDEVEPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-13(16)11-6-8-14(9-7-11)12(15)10-4-3-5-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate?
ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclobutanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43404255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).