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

C11H19N3O2 — CID 16909269

IUPAC1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide
SMILESC=CCNC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C11H19N3O2/c1-2-5-13-10(15)8-14-6-3-9(4-7-14)11(12)16/h2,9H,1,3-8H2,(H2,12,16)(H,13,15)
InChIKeyVGDGLGLOGUKZTG-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.51
Rot. Bonds5

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

1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide (PubChem CID 16909269) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide
PubChem CID16909269
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide
SMILESC=CCNC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C11H19N3O2/c1-2-5-13-10(15)8-14-6-3-9(4-7-14)11(12)16/h2,9H,1,3-8H2,(H2,12,16)(H,13,15)
InChIKeyVGDGLGLOGUKZTG-UHFFFAOYSA-N
XLogP-0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide (CID 16909269) is 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide is C=CCNC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is VGDGLGLOGUKZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-5-13-10(15)8-14-6-3-9(4-7-14)11(12)16/h2,9H,1,3-8H2,(H2,12,16)(H,13,15).
What are the key properties of 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).