1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate

C145H193N7O17 — CID 157137922

IUPAC1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate
SMILESCC(C)(C)c1ccc(CC(=O)CCCN2CCOCC2)cc1.CC(C)(C)c1ccc(CC(=O)CCc2ccncc2)cc1.CC(C)(C)c1ccc(CC(=O)OCC2CCCO2)cc1.CC(C)(C)c1ccc(CC(=O)OCC2CCNCC2)cc1.CC(C)(C)c1ccc(CC(=O)OCCN2CCOCC2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2ccccn2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2cccnc2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2ccncc2)cc1
InChIInChI=1S/C19H29NO2.C19H23NO.C18H27NO3.C18H27NO2.3C18H21NO2.C17H24O3/c1-19(2,3)17-8-6-16(7-9-17)15-18(21)5-4-10-20-11-13-22-14-12-20;1-19(2,3)17-7-4-16(5-8-17)14-18(21)9-6-15-10-12-20-13-11-15;1-18(2,3)16-6-4-15(5-7-16)14-17(20)22-13-10-19-8-11-21-12-9-19;2*1-18(2,3)16-6-4-14(5-7-16)12-17(20)21-13-15-8-10-19-11-9-15;1-18(2,3)16-8-6-14(7-9-16)11-17(20)21-13-15-5-4-10-19-12-15;1-18(2,3)15-9-7-14(8-10-15)12-17(20)21-13-16-6-4-5-11-19-16;1-17(2,3)14-8-6-13(7-9-14)11-16(18)20-12-15-5-4-10-19-15/h6-9H,4-5,10-15H2,1-3H3;4-5,7-8,10-13H,6,9,14H2,1-3H3;4-7H,8-14H2,1-3H3;4-7,15,19H,8-13H2,1-3H3;4-11H,12-13H2,1-3H3;4-10,12H,11,13H2,1-3H3;4-11H,12-13H2,1-3H3;6-9,15H,4-5,10-12H2,1-3H3
InChIKeyAJVPTZNQPZGXIM-UHFFFAOYSA-N
MW2306.17 g/mol
LogP27.05
Rot. Bonds36

About 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate

1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate (PubChem CID 157137922) has the molecular formula C145H193N7O17 and a molecular weight of 2306.17 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate
PubChem CID157137922
Molecular FormulaC145H193N7O17
Molecular Weight2306.17 g/mol
Exact Mass2304.45
IUPAC Name1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate
SMILESCC(C)(C)c1ccc(CC(=O)CCCN2CCOCC2)cc1.CC(C)(C)c1ccc(CC(=O)CCc2ccncc2)cc1.CC(C)(C)c1ccc(CC(=O)OCC2CCCO2)cc1.CC(C)(C)c1ccc(CC(=O)OCC2CCNCC2)cc1.CC(C)(C)c1ccc(CC(=O)OCCN2CCOCC2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2ccccn2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2cccnc2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2ccncc2)cc1
InChIInChI=1S/C19H29NO2.C19H23NO.C18H27NO3.C18H27NO2.3C18H21NO2.C17H24O3/c1-19(2,3)17-8-6-16(7-9-17)15-18(21)5-4-10-20-11-13-22-14-12-20;1-19(2,3)17-7-4-16(5-8-17)14-18(21)9-6-15-10-12-20-13-11-15;1-18(2,3)16-6-4-15(5-7-16)14-17(20)22-13-10-19-8-11-21-12-9-19;2*1-18(2,3)16-6-4-14(5-7-16)12-17(20)21-13-15-8-10-19-11-9-15;1-18(2,3)16-8-6-14(7-9-16)11-17(20)21-13-15-5-4-10-19-12-15;1-18(2,3)15-9-7-14(8-10-15)12-17(20)21-13-16-6-4-5-11-19-16;1-17(2,3)14-8-6-13(7-9-14)11-16(18)20-12-15-5-4-10-19-15/h6-9H,4-5,10-15H2,1-3H3;4-5,7-8,10-13H,6,9,14H2,1-3H3;4-7H,8-14H2,1-3H3;4-7,15,19H,8-13H2,1-3H3;4-11H,12-13H2,1-3H3;4-10,12H,11,13H2,1-3H3;4-11H,12-13H2,1-3H3;6-9,15H,4-5,10-12H2,1-3H3
InChIKeyAJVPTZNQPZGXIM-UHFFFAOYSA-N
XLogP27.05
TPSA289.70 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002306.17
LogP ≤ 527.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate?
The IUPAC name of 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate (CID 157137922) is 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate.
What is the SMILES notation for 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate?
The canonical SMILES for 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate is CC(C)(C)c1ccc(CC(=O)CCCN2CCOCC2)cc1.CC(C)(C)c1ccc(CC(=O)CCc2ccncc2)cc1.CC(C)(C)c1ccc(CC(=O)OCC2CCCO2)cc1.CC(C)(C)c1ccc(CC(=O)OCC2CCNCC2)cc1.CC(C)(C)c1ccc(CC(=O)OCCN2CCOCC2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2ccccn2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2cccnc2)cc1.CC(C)(C)c1ccc(CC(=O)OCc2ccncc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate?
The InChIKey is AJVPTZNQPZGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2.C19H23NO.C18H27NO3.C18H27NO2.3C18H21NO2.C17H24O3/c1-19(2,3)17-8-6-16(7-9-17)15-18(21)5-4-10-20-11-13-22-14-12-20;1-19(2,3)17-7-4-16(5-8-17)14-18(21)9-6-15-10-12-20-13-11-15;1-18(2,3)16-6-4-15(5-7-16)14-17(20)22-13-10-19-8-11-21-12-9-19;2*1-18(2,3)16-6-4-14(5-7-16)12-17(20)21-13-15-8-10-19-11-9-15;1-18(2,3)16-8-6-14(7-9-16)11-17(20)21-13-15-5-4-10-19-12-15;1-18(2,3)15-9-7-14(8-10-15)12-17(20)21-13-16-6-4-5-11-19-16;1-17(2,3)14-8-6-13(7-9-14)11-16(18)20-12-15-5-4-10-19-15/h6-9H,4-5,10-15H2,1-3H3;4-5,7-8,10-13H,6,9,14H2,1-3H3;4-7H,8-14H2,1-3H3;4-7,15,19H,8-13H2,1-3H3;4-11H,12-13H2,1-3H3;4-10,12H,11,13H2,1-3H3;4-11H,12-13H2,1-3H3;6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate?
1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate has a molecular weight of 2306.17 g/mol, XLogP of 27.05, 36 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-5-morpholin-4-ylpentan-2-one;1-(4-tert-butylphenyl)-4-pyridin-4-ylbutan-2-one;2-morpholin-4-ylethyl 2-(4-tert-butylphenyl)acetate;oxolan-2-ylmethyl 2-(4-tert-butylphenyl)acetate;piperidin-4-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-2-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-3-ylmethyl 2-(4-tert-butylphenyl)acetate;pyridin-4-ylmethyl 2-(4-tert-butylphenyl)acetate is sourced from PubChem (CID 157137922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).