7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one

C24H27N3O3S — CID 139414769

IUPAC7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3c(C4CC4)csc3c2=O)CC1
InChIInChI=1S/C24H27N3O3S/c28-20(9-6-17-4-2-1-3-5-17)26-12-10-24(30,11-13-26)15-27-16-25-21-19(18-7-8-18)14-31-22(21)23(27)29/h1-5,14,16,18,30H,6-13,15H2
InChIKeyPLTQBLJYQGTUFT-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.32
Rot. Bonds6

About 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one

7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 139414769) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID139414769
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3c(C4CC4)csc3c2=O)CC1
InChIInChI=1S/C24H27N3O3S/c28-20(9-6-17-4-2-1-3-5-17)26-12-10-24(30,11-13-26)15-27-16-25-21-19(18-7-8-18)14-31-22(21)23(27)29/h1-5,14,16,18,30H,6-13,15H2
InChIKeyPLTQBLJYQGTUFT-UHFFFAOYSA-N
XLogP3.32
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 139414769) is 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one is O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3c(C4CC4)csc3c2=O)CC1.
What is the InChIKey of 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PLTQBLJYQGTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-20(9-6-17-4-2-1-3-5-17)26-12-10-24(30,11-13-26)15-27-16-25-21-19(18-7-8-18)14-31-22(21)23(27)29/h1-5,14,16,18,30H,6-13,15H2.
What are the key properties of 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 437.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139414769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).