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

C9H17N3O — CID 130533304

IUPAC(E)-4-amino-N-piperidin-1-ylbut-2-enamide
SMILESNC/C=C/C(=O)NN1CCCCC1
InChIInChI=1S/C9H17N3O/c10-6-4-5-9(13)11-12-7-2-1-3-8-12/h4-5H,1-3,6-8,10H2,(H,11,13)/b5-4+
InChIKeyMLGGSUUGAISJAK-SNAWJCMRSA-N
MW183.25 g/mol
LogP0.02
Rot. Bonds3

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

(E)-4-amino-N-piperidin-1-ylbut-2-enamide (PubChem CID 130533304) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-4-amino-N-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-piperidin-1-ylbut-2-enamide
PubChem CID130533304
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(E)-4-amino-N-piperidin-1-ylbut-2-enamide
SMILESNC/C=C/C(=O)NN1CCCCC1
InChIInChI=1S/C9H17N3O/c10-6-4-5-9(13)11-12-7-2-1-3-8-12/h4-5H,1-3,6-8,10H2,(H,11,13)/b5-4+
InChIKeyMLGGSUUGAISJAK-SNAWJCMRSA-N
XLogP0.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-amino-N-piperidin-1-ylbut-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

N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
(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
4-Piperidin-1-ylbut-2-enamide
CID 72279346
4-oxo-N-piperidin-1-ylbut-2-enamide
CID 76768793
N-piperidin-1-ylbut-2-enamide
CID 153739102
N-(2-methylpiperidin-1-yl)prop-2-enamide
CID 156540718
Piperidine;prop-2-enehydrazide
CID 161038533
N-piperidin-1-ylpent-2-enamide
CID 172831974
(2E,4E)-N-(2-methylpiperidin-1-yl)hexa-2,4-dienamide
CID 177737863

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-piperidin-1-ylbut-2-enamide?
The IUPAC name of (E)-4-amino-N-piperidin-1-ylbut-2-enamide (CID 130533304) is (E)-4-amino-N-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for (E)-4-amino-N-piperidin-1-ylbut-2-enamide?
The canonical SMILES for (E)-4-amino-N-piperidin-1-ylbut-2-enamide is NC/C=C/C(=O)NN1CCCCC1.
What is the InChIKey of (E)-4-amino-N-piperidin-1-ylbut-2-enamide?
The InChIKey is MLGGSUUGAISJAK-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17N3O/c10-6-4-5-9(13)11-12-7-2-1-3-8-12/h4-5H,1-3,6-8,10H2,(H,11,13)/b5-4+.
What are the key properties of (E)-4-amino-N-piperidin-1-ylbut-2-enamide?
(E)-4-amino-N-piperidin-1-ylbut-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 130533304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).