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

C11H18N2O3 — CID 175313674

IUPACethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate
SMILESC=CC(=O)NN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H18N2O3/c1-3-10(14)12-13-7-5-9(6-8-13)11(15)16-4-2/h3,9H,1,4-8H2,2H3,(H,12,14)
InChIKeyVODKSTKXNUNDOB-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.48
Rot. Bonds4

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

ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate (PubChem CID 175313674) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate
PubChem CID175313674
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate
SMILESC=CC(=O)NN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H18N2O3/c1-3-10(14)12-13-7-5-9(6-8-13)11(15)16-4-2/h3,9H,1,4-8H2,2H3,(H,12,14)
InChIKeyVODKSTKXNUNDOB-UHFFFAOYSA-N
XLogP0.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 1-(prop-2-enoylamino)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

Related Compounds

ethyl 1-((3-hydroxy-6-oxopyridazin-1(6H)-yl)methyl)piperidine-4-carboxylate
CID 685031
1-(Prop-2-enoylamino)piperidine-4-carboxylic acid
CID 175313689

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate (CID 175313674) is ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate is C=CC(=O)NN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate?
The InChIKey is VODKSTKXNUNDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-10(14)12-13-7-5-9(6-8-13)11(15)16-4-2/h3,9H,1,4-8H2,2H3,(H,12,14).
What are the key properties of ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate?
ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate is sourced from PubChem (CID 175313674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).