ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

C12H19NO3 — CID 43404451

IUPACethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)10-4-3-7-13(8-10)11(14)9-5-6-9/h9-10H,2-8H2,1H3
InChIKeyGHSKOXMJKSBMOU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds3

About ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (PubChem CID 43404451) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
PubChem CID43404451
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)10-4-3-7-13(8-10)11(14)9-5-6-9/h9-10H,2-8H2,1H3
InChIKeyGHSKOXMJKSBMOU-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(cyclopropanecarbonyl)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-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (CID 43404451) is ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The InChIKey is GHSKOXMJKSBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-16-12(15)10-4-3-7-13(8-10)11(14)9-5-6-9/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 43404451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).