ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate

C15H24N2O4 — CID 3687812

IUPACethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate
SMILESC=CCNC(=O)CCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C15H24N2O4/c1-3-9-16-13(18)5-6-14(19)17-10-7-12(8-11-17)15(20)21-4-2/h3,12H,1,4-11H2,2H3,(H,16,18)
InChIKeyLOFVXOQCIPIEKX-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.87
Rot. Bonds7

About ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate

ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate (PubChem CID 3687812) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate
PubChem CID3687812
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate
SMILESC=CCNC(=O)CCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C15H24N2O4/c1-3-9-16-13(18)5-6-14(19)17-10-7-12(8-11-17)15(20)21-4-2/h3,12H,1,4-11H2,2H3,(H,16,18)
InChIKeyLOFVXOQCIPIEKX-UHFFFAOYSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]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-(prop-2-enylcarbamothioyl)piperidine-4-carboxylate
CID 4678232
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(5-bromopentanoyl)piperidine-4-carboxylate
CID 114014584
ethyl 1-[4-(2-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 110676268
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-[N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-prop-2-enylcarbamimidoyl]piperidine-4-carboxylate
CID 111156397

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate (CID 3687812) is ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate is C=CCNC(=O)CCC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate?
The InChIKey is LOFVXOQCIPIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-9-16-13(18)5-6-14(19)17-10-7-12(8-11-17)15(20)21-4-2/h3,12H,1,4-11H2,2H3,(H,16,18).
What are the key properties of ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate?
ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-oxo-4-(prop-2-enylamino)butanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 3687812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).