1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one

C30H34N2O3 — CID 139347178

IUPAC1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one
SMILESC=C(C)c1cc(=O)n(CC2(O)CCN(C(=O)CC(C)c3ccccc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C30H34N2O3/c1-22(2)26-19-29(34)32(20-27(26)25-12-8-5-9-13-25)21-30(35)14-16-31(17-15-30)28(33)18-23(3)24-10-6-4-7-11-24/h4-13,19-20,23,35H,1,14-18,21H2,2-3H3
InChIKeyLZZMLUJJQZJONP-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.10
Rot. Bonds7

About 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one

1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one (PubChem CID 139347178) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one
PubChem CID139347178
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one
SMILESC=C(C)c1cc(=O)n(CC2(O)CCN(C(=O)CC(C)c3ccccc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C30H34N2O3/c1-22(2)26-19-29(34)32(20-27(26)25-12-8-5-9-13-25)21-30(35)14-16-31(17-15-30)28(33)18-23(3)24-10-6-4-7-11-24/h4-13,19-20,23,35H,1,14-18,21H2,2-3H3
InChIKeyLZZMLUJJQZJONP-UHFFFAOYSA-N
XLogP5.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one?
The IUPAC name of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one (CID 139347178) is 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one.
What is the SMILES notation for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one?
The canonical SMILES for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one is C=C(C)c1cc(=O)n(CC2(O)CCN(C(=O)CC(C)c3ccccc3)CC2)cc1-c1ccccc1.
What is the InChIKey of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one?
The InChIKey is LZZMLUJJQZJONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-22(2)26-19-29(34)32(20-27(26)25-12-8-5-9-13-25)21-30(35)14-16-31(17-15-30)28(33)18-23(3)24-10-6-4-7-11-24/h4-13,19-20,23,35H,1,14-18,21H2,2-3H3.
What are the key properties of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one?
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one has a molecular weight of 470.61 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one is sourced from PubChem (CID 139347178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).