2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide

C12H22N2O — CID 47012766

IUPAC2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCC(C)C1
InChIInChI=1S/C12H22N2O/c1-4-7-13-12(15)11(3)14-8-5-6-10(2)9-14/h4,10-11H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyFOBPUHLBRIKUGJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide

2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 47012766) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide
PubChem CID47012766
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCC(C)C1
InChIInChI=1S/C12H22N2O/c1-4-7-13-12(15)11(3)14-8-5-6-10(2)9-14/h4,10-11H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyFOBPUHLBRIKUGJ-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide (CID 47012766) is 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCCC(C)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is FOBPUHLBRIKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-13-12(15)11(3)14-8-5-6-10(2)9-14/h4,10-11H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide?
2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 47012766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).