N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide

C11H19N3O2 — CID 123180617

IUPACN-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESC/C=N/C1CCN(C(=O)CNC(C)=O)CC1
InChIInChI=1S/C11H19N3O2/c1-3-12-10-4-6-14(7-5-10)11(16)8-13-9(2)15/h3,10H,4-8H2,1-2H3,(H,13,15)/b12-3+
InChIKeyHJPLFKKMMBKSIH-KGVSQERTSA-N
MW225.29 g/mol
LogP0.20
Rot. Bonds3

About N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 123180617) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID123180617
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESC/C=N/C1CCN(C(=O)CNC(C)=O)CC1
InChIInChI=1S/C11H19N3O2/c1-3-12-10-4-6-14(7-5-10)11(16)8-13-9(2)15/h3,10H,4-8H2,1-2H3,(H,13,15)/b12-3+
InChIKeyHJPLFKKMMBKSIH-KGVSQERTSA-N
XLogP0.20
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide 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-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide (CID 123180617) is N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide is C/C=N/C1CCN(C(=O)CNC(C)=O)CC1.
What is the InChIKey of N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is HJPLFKKMMBKSIH-KGVSQERTSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-12-10-4-6-14(7-5-10)11(16)8-13-9(2)15/h3,10H,4-8H2,1-2H3,(H,13,15)/b12-3+.
What are the key properties of N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 123180617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).