(E)-4-piperidin-1-ylbut-2-enamide

C9H16N2O — CID 59420116

IUPAC(E)-4-piperidin-1-ylbut-2-enamide
SMILESNC(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)5-4-8-11-6-2-1-3-7-11/h4-5H,1-3,6-8H2,(H2,10,12)/b5-4+
InChIKeyNIIFPFOKZFFNMN-SNAWJCMRSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds3

About (E)-4-piperidin-1-ylbut-2-enamide

(E)-4-piperidin-1-ylbut-2-enamide (PubChem CID 59420116) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-4-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-piperidin-1-ylbut-2-enamide
PubChem CID59420116
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-4-piperidin-1-ylbut-2-enamide
SMILESNC(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)5-4-8-11-6-2-1-3-7-11/h4-5H,1-3,6-8H2,(H2,10,12)/b5-4+
InChIKeyNIIFPFOKZFFNMN-SNAWJCMRSA-N
XLogP0.51
TPSA46.33 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 ≤ 50.51
H-Bond Donors ≤ 51
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 (E)-4-piperidin-1-ylbut-2-enamide?
The IUPAC name of (E)-4-piperidin-1-ylbut-2-enamide (CID 59420116) is (E)-4-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for (E)-4-piperidin-1-ylbut-2-enamide?
The canonical SMILES for (E)-4-piperidin-1-ylbut-2-enamide is NC(=O)/C=C/CN1CCCCC1.
What is the InChIKey of (E)-4-piperidin-1-ylbut-2-enamide?
The InChIKey is NIIFPFOKZFFNMN-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9(12)5-4-8-11-6-2-1-3-7-11/h4-5H,1-3,6-8H2,(H2,10,12)/b5-4+.
What are the key properties of (E)-4-piperidin-1-ylbut-2-enamide?
(E)-4-piperidin-1-ylbut-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 59420116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).