N-piperidin-3-ylprop-2-enamide

C8H14N2O — CID 63320950

IUPACN-piperidin-3-ylprop-2-enamide
SMILESC=CC(=O)NC1CCCNC1
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h2,7,9H,1,3-6H2,(H,10,11)
InChIKeyRPMFGHRTPXYQAF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.04
Rot. Bonds2

About N-piperidin-3-ylprop-2-enamide

N-piperidin-3-ylprop-2-enamide (PubChem CID 63320950) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-piperidin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-piperidin-3-ylprop-2-enamide
PubChem CID63320950
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-piperidin-3-ylprop-2-enamide
SMILESC=CC(=O)NC1CCCNC1
InChIInChI=1S/C8H14N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h2,7,9H,1,3-6H2,(H,10,11)
InChIKeyRPMFGHRTPXYQAF-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-piperidin-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-ylprop-2-enamide?
The IUPAC name of N-piperidin-3-ylprop-2-enamide (CID 63320950) is N-piperidin-3-ylprop-2-enamide.
What is the SMILES notation for N-piperidin-3-ylprop-2-enamide?
The canonical SMILES for N-piperidin-3-ylprop-2-enamide is C=CC(=O)NC1CCCNC1.
What is the InChIKey of N-piperidin-3-ylprop-2-enamide?
The InChIKey is RPMFGHRTPXYQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h2,7,9H,1,3-6H2,(H,10,11).
What are the key properties of N-piperidin-3-ylprop-2-enamide?
N-piperidin-3-ylprop-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-ylprop-2-enamide is sourced from PubChem (CID 63320950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).