2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide

C12H22N2O2 — CID 60677445

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCC(CO)C1
InChIInChI=1S/C12H22N2O2/c1-3-6-13-12(16)10(2)14-7-4-5-11(8-14)9-15/h3,10-11,15H,1,4-9H2,2H3,(H,13,16)
InChIKeyFUGDTNOOFBIZME-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.38
Rot. Bonds5

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 60677445) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID60677445
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCC(CO)C1
InChIInChI=1S/C12H22N2O2/c1-3-6-13-12(16)10(2)14-7-4-5-11(8-14)9-15/h3,10-11,15H,1,4-9H2,2H3,(H,13,16)
InChIKeyFUGDTNOOFBIZME-UHFFFAOYSA-N
XLogP0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.38
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-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide (CID 60677445) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is FUGDTNOOFBIZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-6-13-12(16)10(2)14-7-4-5-11(8-14)9-15/h3,10-11,15H,1,4-9H2,2H3,(H,13,16).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 60677445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).