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

C14H23N3O4 — CID 27152324

IUPACethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H23N3O4/c1-3-7-15-14(20)16-12(18)10-17-8-5-11(6-9-17)13(19)21-4-2/h3,11H,1,4-10H2,2H3,(H2,15,16,18,20)
InChIKeyOTKRAWKLYVTVPF-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.27
Rot. Bonds6

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

ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate (PubChem CID 27152324) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate
PubChem CID27152324
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H23N3O4/c1-3-7-15-14(20)16-12(18)10-17-8-5-11(6-9-17)13(19)21-4-2/h3,11H,1,4-10H2,2H3,(H2,15,16,18,20)
InChIKeyOTKRAWKLYVTVPF-UHFFFAOYSA-N
XLogP0.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate (CID 27152324) is ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate is C=CCNC(=O)NC(=O)CN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
The InChIKey is OTKRAWKLYVTVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-7-15-14(20)16-12(18)10-17-8-5-11(6-9-17)13(19)21-4-2/h3,11H,1,4-10H2,2H3,(H2,15,16,18,20).
What are the key properties of ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 27152324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).