piperidine;prop-2-enamide

C8H16N2O — CID 23370717

IUPACpiperidine;prop-2-enamide
SMILESC1CCNCC1.C=CC(N)=O
InChIInChI=1S/C5H11N.C3H5NO/c1-2-4-6-5-3-1;1-2-3(4)5/h6H,1-5H2;2H,1H2,(H2,4,5)
InChIKeyGWCQNXOSMJDSEW-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds1

About piperidine;prop-2-enamide

piperidine;prop-2-enamide (PubChem CID 23370717) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is piperidine;prop-2-enamide.

Molecular Properties

Compound Namepiperidine;prop-2-enamide
PubChem CID23370717
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Namepiperidine;prop-2-enamide
SMILESC1CCNCC1.C=CC(N)=O
InChIInChI=1S/C5H11N.C3H5NO/c1-2-4-6-5-3-1;1-2-3(4)5/h6H,1-5H2;2H,1H2,(H2,4,5)
InChIKeyGWCQNXOSMJDSEW-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidine;prop-2-enamide?
The IUPAC name of piperidine;prop-2-enamide (CID 23370717) is piperidine;prop-2-enamide.
What is the SMILES notation for piperidine;prop-2-enamide?
The canonical SMILES for piperidine;prop-2-enamide is C1CCNCC1.C=CC(N)=O.
What is the InChIKey of piperidine;prop-2-enamide?
The InChIKey is GWCQNXOSMJDSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H5NO/c1-2-4-6-5-3-1;1-2-3(4)5/h6H,1-5H2;2H,1H2,(H2,4,5).
What are the key properties of piperidine;prop-2-enamide?
piperidine;prop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;prop-2-enamide is sourced from PubChem (CID 23370717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).