5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one

C18H28N2O — CID 64654295

IUPAC5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(19-16-10-11-17(21)20(5)12-16)14-6-8-15(9-7-14)18(2,3)4/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyGPLVINDWEYMTDC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.26
Rot. Bonds3

About 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one

5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one (PubChem CID 64654295) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one
PubChem CID64654295
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one
SMILESCC(NC1CCC(=O)N(C)C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(19-16-10-11-17(21)20(5)12-16)14-6-8-15(9-7-14)18(2,3)4/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyGPLVINDWEYMTDC-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one (CID 64654295) is 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one is CC(NC1CCC(=O)N(C)C1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one?
The InChIKey is GPLVINDWEYMTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(19-16-10-11-17(21)20(5)12-16)14-6-8-15(9-7-14)18(2,3)4/h6-9,13,16,19H,10-12H2,1-5H3.
What are the key properties of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one?
5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one has a molecular weight of 288.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64654295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).