ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate

C11H20N2O2 — CID 43231322

IUPACethyl 4-(prop-2-enylamino)piperidine-1-carboxylate
SMILESC=CCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H20N2O2/c1-3-7-12-10-5-8-13(9-6-10)11(14)15-4-2/h3,10,12H,1,4-9H2,2H3
InChIKeyCJQGXEZQDBDAQY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.38
Rot. Bonds4

About ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate

ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate (PubChem CID 43231322) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(prop-2-enylamino)piperidine-1-carboxylate
PubChem CID43231322
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethyl 4-(prop-2-enylamino)piperidine-1-carboxylate
SMILESC=CCNC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C11H20N2O2/c1-3-7-12-10-5-8-13(9-6-10)11(14)15-4-2/h3,10,12H,1,4-9H2,2H3
InChIKeyCJQGXEZQDBDAQY-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 4-(prop-2-enylamino)piperidine-1-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 4-(prop-2-enylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate (CID 43231322) is ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate is C=CCNC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate?
The InChIKey is CJQGXEZQDBDAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-7-12-10-5-8-13(9-6-10)11(14)15-4-2/h3,10,12H,1,4-9H2,2H3.
What are the key properties of ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate?
ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(prop-2-enylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43231322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).