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

C13H20N2O2 — CID 54069854

IUPACN-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC)C1CCCCN1C(=O)C=C
InChIInChI=1S/C13H20N2O2/c1-4-12(16)14(6-3)11-9-7-8-10-15(11)13(17)5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyMFQOXRPJZJDYJA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds4

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

N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide (PubChem CID 54069854) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide
PubChem CID54069854
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC)C1CCCCN1C(=O)C=C
InChIInChI=1S/C13H20N2O2/c1-4-12(16)14(6-3)11-9-7-8-10-15(11)13(17)5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyMFQOXRPJZJDYJA-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
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-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide (CID 54069854) is N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide is C=CC(=O)N(CC)C1CCCCN1C(=O)C=C.
What is the InChIKey of N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
The InChIKey is MFQOXRPJZJDYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12(16)14(6-3)11-9-7-8-10-15(11)13(17)5-2/h4-5,11H,1-2,6-10H2,3H3.
What are the key properties of N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide?
N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-prop-2-enoylpiperidin-2-yl)prop-2-enamide is sourced from PubChem (CID 54069854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).