N-piperidin-1-ylbut-3-enamide

C9H16N2O — CID 143446530

IUPACN-piperidin-1-ylbut-3-enamide
SMILESC=CCC(=O)NN1CCCCC1
InChIInChI=1S/C9H16N2O/c1-2-6-9(12)10-11-7-4-3-5-8-11/h2H,1,3-8H2,(H,10,12)
InChIKeyZBNHGEHRLHKXKM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds3

About N-piperidin-1-ylbut-3-enamide

N-piperidin-1-ylbut-3-enamide (PubChem CID 143446530) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-piperidin-1-ylbut-3-enamide.

Molecular Properties

Compound NameN-piperidin-1-ylbut-3-enamide
PubChem CID143446530
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-piperidin-1-ylbut-3-enamide
SMILESC=CCC(=O)NN1CCCCC1
InChIInChI=1S/C9H16N2O/c1-2-6-9(12)10-11-7-4-3-5-8-11/h2H,1,3-8H2,(H,10,12)
InChIKeyZBNHGEHRLHKXKM-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-piperidin-1-ylbut-3-enamide?
The IUPAC name of N-piperidin-1-ylbut-3-enamide (CID 143446530) is N-piperidin-1-ylbut-3-enamide.
What is the SMILES notation for N-piperidin-1-ylbut-3-enamide?
The canonical SMILES for N-piperidin-1-ylbut-3-enamide is C=CCC(=O)NN1CCCCC1.
What is the InChIKey of N-piperidin-1-ylbut-3-enamide?
The InChIKey is ZBNHGEHRLHKXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-6-9(12)10-11-7-4-3-5-8-11/h2H,1,3-8H2,(H,10,12).
What are the key properties of N-piperidin-1-ylbut-3-enamide?
N-piperidin-1-ylbut-3-enamide has a molecular weight of 168.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-ylbut-3-enamide is sourced from PubChem (CID 143446530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).