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

C21H23N3O4 — CID 134451350

IUPAC3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3ccoc3c2=O)CC1
InChIInChI=1S/C21H23N3O4/c25-18(7-6-16-4-2-1-3-5-16)23-11-9-21(27,10-12-23)14-24-15-22-17-8-13-28-19(17)20(24)26/h1-5,8,13,15,27H,6-7,9-12,14H2
InChIKeyYYICLMSQJLANAQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.98
Rot. Bonds5

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

3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one (PubChem CID 134451350) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one
PubChem CID134451350
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3ccoc3c2=O)CC1
InChIInChI=1S/C21H23N3O4/c25-18(7-6-16-4-2-1-3-5-16)23-11-9-21(27,10-12-23)14-24-15-22-17-8-13-28-19(17)20(24)26/h1-5,8,13,15,27H,6-7,9-12,14H2
InChIKeyYYICLMSQJLANAQ-UHFFFAOYSA-N
XLogP1.98
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one (CID 134451350) is 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one is O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3ccoc3c2=O)CC1.
What is the InChIKey of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one?
The InChIKey is YYICLMSQJLANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-18(7-6-16-4-2-1-3-5-16)23-11-9-21(27,10-12-23)14-24-15-22-17-8-13-28-19(17)20(24)26/h1-5,8,13,15,27H,6-7,9-12,14H2.
What are the key properties of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one?
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one has a molecular weight of 381.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134451350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).