2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide

C12H23N3O — CID 63249808

IUPAC2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCCC1CNC
InChIInChI=1S/C12H23N3O/c1-3-7-14-12(16)10-15-8-5-4-6-11(15)9-13-2/h3,11,13H,1,4-10H2,2H3,(H,14,16)
InChIKeyIKPNZLYDKJFFNC-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide

2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 63249808) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID63249808
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCCC1CNC
InChIInChI=1S/C12H23N3O/c1-3-7-14-12(16)10-15-8-5-4-6-11(15)9-13-2/h3,11,13H,1,4-10H2,2H3,(H,14,16)
InChIKeyIKPNZLYDKJFFNC-UHFFFAOYSA-N
XLogP0.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
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-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 63249808) is 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCCCC1CNC.
What is the InChIKey of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is IKPNZLYDKJFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-7-14-12(16)10-15-8-5-4-6-11(15)9-13-2/h3,11,13H,1,4-10H2,2H3,(H,14,16).
What are the key properties of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 63249808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).