4-oxo-N-piperidin-1-ylbut-2-enamide

C9H14N2O2 — CID 76768793

IUPAC4-oxo-N-piperidin-1-ylbut-2-enamide
SMILESO=CC=CC(=O)NN1CCCCC1
InChIInChI=1S/C9H14N2O2/c12-8-4-5-9(13)10-11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2,(H,10,13)
InChIKeyKVBTTZJITNLYFC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds3

About 4-oxo-N-piperidin-1-ylbut-2-enamide

4-oxo-N-piperidin-1-ylbut-2-enamide (PubChem CID 76768793) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-oxo-N-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name4-oxo-N-piperidin-1-ylbut-2-enamide
PubChem CID76768793
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-oxo-N-piperidin-1-ylbut-2-enamide
SMILESO=CC=CC(=O)NN1CCCCC1
InChIInChI=1S/C9H14N2O2/c12-8-4-5-9(13)10-11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2,(H,10,13)
InChIKeyKVBTTZJITNLYFC-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
(Z)-4-oxo-N-piperidin-1-ylbut-2-enamide
CID 58346827
4-Piperidin-1-ylbut-2-enehydrazide
CID 69088465
N-piperidin-1-ylbut-2-enamide
CID 153739102
(E)-4-(3,6-dioxo-1H-pyridazin-2-yl)but-2-enal
CID 12292663
(E)-N-piperidin-1-ylbut-2-enamide
CID 78907910
(E)-4-amino-N-piperidin-1-ylbut-2-enamide
CID 130533304

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-piperidin-1-ylbut-2-enamide?
The IUPAC name of 4-oxo-N-piperidin-1-ylbut-2-enamide (CID 76768793) is 4-oxo-N-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for 4-oxo-N-piperidin-1-ylbut-2-enamide?
The canonical SMILES for 4-oxo-N-piperidin-1-ylbut-2-enamide is O=CC=CC(=O)NN1CCCCC1.
What is the InChIKey of 4-oxo-N-piperidin-1-ylbut-2-enamide?
The InChIKey is KVBTTZJITNLYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-4-5-9(13)10-11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2,(H,10,13).
What are the key properties of 4-oxo-N-piperidin-1-ylbut-2-enamide?
4-oxo-N-piperidin-1-ylbut-2-enamide has a molecular weight of 182.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 76768793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).