2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide

C12H19N3O2 — CID 67840638

IUPAC2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide
SMILESCC(O)=C(C#N)C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-10(16)11(9-13)12(17)14-5-8-15-6-3-2-4-7-15/h16H,2-8H2,1H3,(H,14,17)
InChIKeyHCNLTNCUHZQZPA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.94
Rot. Bonds4

About 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide

2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide (PubChem CID 67840638) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide.

Molecular Properties

Compound Name2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide
PubChem CID67840638
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide
SMILESCC(O)=C(C#N)C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-10(16)11(9-13)12(17)14-5-8-15-6-3-2-4-7-15/h16H,2-8H2,1H3,(H,14,17)
InChIKeyHCNLTNCUHZQZPA-UHFFFAOYSA-N
XLogP0.94
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-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

Related Compounds

2-piperidin-1-ylethyl (Z)-2-cyano-3-hydroxybut-2-enoate
CID 67841663
(2Z)-2-hydroxyimino-N-(2-piperidin-1-ylethyl)propanamide
CID 6401184
methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
CID 112616960
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
2,3-dimethyl-4-oxo-4-(3-piperidin-1-ylpropylamino)but-2-enoic acid
CID 76991514
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
2,3-dimethyl-4-oxo-4-(3-pyrrolidin-1-ylpropylamino)but-2-enoic acid
CID 76991543
(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide
CID 660010
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide?
The IUPAC name of 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide (CID 67840638) is 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide.
What is the SMILES notation for 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide?
The canonical SMILES for 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide is CC(O)=C(C#N)C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide?
The InChIKey is HCNLTNCUHZQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(16)11(9-13)12(17)14-5-8-15-6-3-2-4-7-15/h16H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide?
2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-hydroxy-N-(2-piperidin-1-ylethyl)but-2-enamide is sourced from PubChem (CID 67840638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).