ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate

C16H27NO3 — CID 79208840

IUPACethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H27NO3/c1-6-20-14(19)11-9-7-8-10-17(11)13(18)12-15(2,3)16(12,4)5/h11-12H,6-10H2,1-5H3
InChIKeyRWYCIDNMLKVMIJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.61
Rot. Bonds3

About ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate

ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate (PubChem CID 79208840) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
PubChem CID79208840
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H27NO3/c1-6-20-14(19)11-9-7-8-10-17(11)13(18)12-15(2,3)16(12,4)5/h11-12H,6-10H2,1-5H3
InChIKeyRWYCIDNMLKVMIJ-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate (CID 79208840) is ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
The InChIKey is RWYCIDNMLKVMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-20-14(19)11-9-7-8-10-17(11)13(18)12-15(2,3)16(12,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79208840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).