ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate

C13H24N2O3 — CID 43404892

IUPACethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-5-18-11(16)10-7-6-8-15(9-10)12(17)14-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyAJBLLEGWBNFFPA-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds2

About ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate

ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate (PubChem CID 43404892) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate
PubChem CID43404892
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-5-18-11(16)10-7-6-8-15(9-10)12(17)14-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyAJBLLEGWBNFFPA-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(tert-butylcarbamoyl)piperidine-3-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-(tert-butylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate (CID 43404892) is ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)NC(C)(C)C)C1.
What is the InChIKey of ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is AJBLLEGWBNFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-18-11(16)10-7-6-8-15(9-10)12(17)14-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate?
ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(tert-butylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 43404892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).