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

C9H16N2O — CID 78907910

IUPAC(E)-N-piperidin-1-ylbut-2-enamide
SMILESC/C=C/C(=O)NN1CCCCC1
InChIInChI=1S/C9H16N2O/c1-2-6-9(12)10-11-7-4-3-5-8-11/h2,6H,3-5,7-8H2,1H3,(H,10,12)/b6-2+
InChIKeyLWDGGZUFORUUIU-QHHAFSJGSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds2

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

(E)-N-piperidin-1-ylbut-2-enamide (PubChem CID 78907910) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-N-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-piperidin-1-ylbut-2-enamide
PubChem CID78907910
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-N-piperidin-1-ylbut-2-enamide
SMILESC/C=C/C(=O)NN1CCCCC1
InChIInChI=1S/C9H16N2O/c1-2-6-9(12)10-11-7-4-3-5-8-11/h2,6H,3-5,7-8H2,1H3,(H,10,12)/b6-2+
InChIKeyLWDGGZUFORUUIU-QHHAFSJGSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenamide, 2-methyl-N-1-piperidinyl-
CID 11557354
N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
(2E,4E)-N-piperidin-1-yldeca-2,4-dienamide
CID 23071668
(Z)-4-oxo-N-piperidin-1-ylbut-2-enamide
CID 58346827
(E)-4-piperidin-1-ylbut-2-enamide
CID 59420116
1,2-Dihydropyridazine-3,6-dione;1,1-dimethylpiperidin-1-ium
CID 67360795
4-Piperidin-1-ylbut-2-enehydrazide
CID 69088465
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423
4-Piperidin-1-ylbut-2-enamide
CID 72279346
N-piperidin-1-yldeca-2,4-dienamide
CID 74015237
4-oxo-N-piperidin-1-ylbut-2-enamide
CID 76768793
N-methyl-N-piperidin-1-ylbut-2-enamide
CID 91455238

Frequently Asked Questions

What is the IUPAC name of (E)-N-piperidin-1-ylbut-2-enamide?
The IUPAC name of (E)-N-piperidin-1-ylbut-2-enamide (CID 78907910) is (E)-N-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for (E)-N-piperidin-1-ylbut-2-enamide?
The canonical SMILES for (E)-N-piperidin-1-ylbut-2-enamide is C/C=C/C(=O)NN1CCCCC1.
What is the InChIKey of (E)-N-piperidin-1-ylbut-2-enamide?
The InChIKey is LWDGGZUFORUUIU-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-6-9(12)10-11-7-4-3-5-8-11/h2,6H,3-5,7-8H2,1H3,(H,10,12)/b6-2+.
What are the key properties of (E)-N-piperidin-1-ylbut-2-enamide?
(E)-N-piperidin-1-ylbut-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 78907910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).