N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide

C11H16N2O2 — CID 54019516

IUPACN-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCN1C(=O)C=C
InChIInChI=1S/C11H16N2O2/c1-3-10(14)12-9-7-5-6-8-13(9)11(15)4-2/h3-4,9H,1-2,5-8H2,(H,12,14)
InChIKeyKXYSRSWFCXUDKY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.81
Rot. Bonds3

About N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide

N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide (PubChem CID 54019516) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide
PubChem CID54019516
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCN1C(=O)C=C
InChIInChI=1S/C11H16N2O2/c1-3-10(14)12-9-7-5-6-8-13(9)11(15)4-2/h3-4,9H,1-2,5-8H2,(H,12,14)
InChIKeyKXYSRSWFCXUDKY-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
The IUPAC name of N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide (CID 54019516) is N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide is C=CC(=O)NC1CCCCN1C(=O)C=C.
What is the InChIKey of N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
The InChIKey is KXYSRSWFCXUDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10(14)12-9-7-5-6-8-13(9)11(15)4-2/h3-4,9H,1-2,5-8H2,(H,12,14).
What are the key properties of N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide has a molecular weight of 208.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide is sourced from PubChem (CID 54019516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).