ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen

C15H30N2O3 — CID 156798893

IUPACethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen
SMILESCC.CC(C)/C=C/C(=O)NC1CCN(C(=O)CO)CC1.[H][H]
InChIInChI=1S/C13H22N2O3.C2H6.H2/c1-10(2)3-4-12(17)14-11-5-7-15(8-6-11)13(18)9-16;1-2;/h3-4,10-11,16H,5-9H2,1-2H3,(H,14,17);1-2H3;1H/b4-3+;;
InChIKeyOUEAHCWEOOJNEF-CZEFNJPISA-N
MW286.42 g/mol
LogP1.57
Rot. Bonds4

About ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen

ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen (PubChem CID 156798893) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen
PubChem CID156798893
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen
SMILESCC.CC(C)/C=C/C(=O)NC1CCN(C(=O)CO)CC1.[H][H]
InChIInChI=1S/C13H22N2O3.C2H6.H2/c1-10(2)3-4-12(17)14-11-5-7-15(8-6-11)13(18)9-16;1-2;/h3-4,10-11,16H,5-9H2,1-2H3,(H,14,17);1-2H3;1H/b4-3+;;
InChIKeyOUEAHCWEOOJNEF-CZEFNJPISA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen?
The IUPAC name of ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen (CID 156798893) is ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen.
What is the SMILES notation for ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen?
The canonical SMILES for ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen is CC.CC(C)/C=C/C(=O)NC1CCN(C(=O)CO)CC1.[H][H].
What is the InChIKey of ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen?
The InChIKey is OUEAHCWEOOJNEF-CZEFNJPISA-N. The full InChI is InChI=1S/C13H22N2O3.C2H6.H2/c1-10(2)3-4-12(17)14-11-5-7-15(8-6-11)13(18)9-16;1-2;/h3-4,10-11,16H,5-9H2,1-2H3,(H,14,17);1-2H3;1H/b4-3+;;.
What are the key properties of ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen?
ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen has a molecular weight of 286.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methylpent-2-enamide;molecular hydrogen is sourced from PubChem (CID 156798893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).