3-amino-3-piperidin-4-ylprop-2-enamide

C8H15N3O — CID 174037546

IUPAC3-amino-3-piperidin-4-ylprop-2-enamide
SMILESNC(=O)C=C(N)C1CCNCC1
InChIInChI=1S/C8H15N3O/c9-7(5-8(10)12)6-1-3-11-4-2-6/h5-6,11H,1-4,9H2,(H2,10,12)
InChIKeyNSZCEEWEOVAHJR-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.69
Rot. Bonds2

About 3-amino-3-piperidin-4-ylprop-2-enamide

3-amino-3-piperidin-4-ylprop-2-enamide (PubChem CID 174037546) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-amino-3-piperidin-4-ylprop-2-enamide.

Molecular Properties

Compound Name3-amino-3-piperidin-4-ylprop-2-enamide
PubChem CID174037546
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-amino-3-piperidin-4-ylprop-2-enamide
SMILESNC(=O)C=C(N)C1CCNCC1
InChIInChI=1S/C8H15N3O/c9-7(5-8(10)12)6-1-3-11-4-2-6/h5-6,11H,1-4,9H2,(H2,10,12)
InChIKeyNSZCEEWEOVAHJR-UHFFFAOYSA-N
XLogP-0.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-piperidin-4-ylprop-2-enamide?
The IUPAC name of 3-amino-3-piperidin-4-ylprop-2-enamide (CID 174037546) is 3-amino-3-piperidin-4-ylprop-2-enamide.
What is the SMILES notation for 3-amino-3-piperidin-4-ylprop-2-enamide?
The canonical SMILES for 3-amino-3-piperidin-4-ylprop-2-enamide is NC(=O)C=C(N)C1CCNCC1.
What is the InChIKey of 3-amino-3-piperidin-4-ylprop-2-enamide?
The InChIKey is NSZCEEWEOVAHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-7(5-8(10)12)6-1-3-11-4-2-6/h5-6,11H,1-4,9H2,(H2,10,12).
What are the key properties of 3-amino-3-piperidin-4-ylprop-2-enamide?
3-amino-3-piperidin-4-ylprop-2-enamide has a molecular weight of 169.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-piperidin-4-ylprop-2-enamide is sourced from PubChem (CID 174037546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).