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

C13H21N3O4 — CID 27173716

IUPACmethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H21N3O4/c1-3-6-14-13(19)15-11(17)9-16-7-4-10(5-8-16)12(18)20-2/h3,10H,1,4-9H2,2H3,(H2,14,15,17,19)
InChIKeyBUTAQLNDABSSDG-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.12
Rot. Bonds5

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

methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate (PubChem CID 27173716) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate
PubChem CID27173716
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namemethyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H21N3O4/c1-3-6-14-13(19)15-11(17)9-16-7-4-10(5-8-16)12(18)20-2/h3,10H,1,4-9H2,2H3,(H2,14,15,17,19)
InChIKeyBUTAQLNDABSSDG-UHFFFAOYSA-N
XLogP-0.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.12
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 methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate (CID 27173716) is methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate is C=CCNC(=O)NC(=O)CN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
The InChIKey is BUTAQLNDABSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-6-14-13(19)15-11(17)9-16-7-4-10(5-8-16)12(18)20-2/h3,10H,1,4-9H2,2H3,(H2,14,15,17,19).
What are the key properties of methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate has a molecular weight of 283.33 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 27173716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).