2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide

C12H22N2O2 — CID 95632866

IUPAC2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC[C@H](OCC)C1
InChIInChI=1S/C12H22N2O2/c1-3-7-13-12(15)10-14-8-5-6-11(9-14)16-4-2/h3,11H,1,4-10H2,2H3,(H,13,15)/t11-/m0/s1
InChIKeyFINYEGSQJVPGPY-NSHDSACASA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide

2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 95632866) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID95632866
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC[C@H](OCC)C1
InChIInChI=1S/C12H22N2O2/c1-3-7-13-12(15)10-14-8-5-6-11(9-14)16-4-2/h3,11H,1,4-10H2,2H3,(H,13,15)/t11-/m0/s1
InChIKeyFINYEGSQJVPGPY-NSHDSACASA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide (CID 95632866) is 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC[C@H](OCC)C1.
What is the InChIKey of 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is FINYEGSQJVPGPY-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-7-13-12(15)10-14-8-5-6-11(9-14)16-4-2/h3,11H,1,4-10H2,2H3,(H,13,15)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide?
2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 95632866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).