2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide

C11H18N2O2 — CID 62655510

IUPAC2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCCC1C=O
InChIInChI=1S/C11H18N2O2/c1-2-6-12-11(15)8-13-7-4-3-5-10(13)9-14/h2,9-10H,1,3-8H2,(H,12,15)
InChIKeyMNCJRVCEKKUZEB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.34
Rot. Bonds5

About 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide

2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 62655510) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide
PubChem CID62655510
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCCC1C=O
InChIInChI=1S/C11H18N2O2/c1-2-6-12-11(15)8-13-7-4-3-5-10(13)9-14/h2,9-10H,1,3-8H2,(H,12,15)
InChIKeyMNCJRVCEKKUZEB-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide (CID 62655510) is 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCCCC1C=O.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is MNCJRVCEKKUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-6-12-11(15)8-13-7-4-3-5-10(13)9-14/h2,9-10H,1,3-8H2,(H,12,15).
What are the key properties of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide?
2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 210.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpiperidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 62655510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).