3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one

C15H19NO5 — CID 95725672

IUPAC3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1CCCc2occ(C(=O)N3CCC[C@](O)(CO)C3)c21
InChIInChI=1S/C15H19NO5/c17-9-15(20)5-2-6-16(8-15)14(19)10-7-21-12-4-1-3-11(18)13(10)12/h7,17,20H,1-6,8-9H2/t15-/m1/s1
InChIKeyXYOIWVKZYXBUNS-OAHLLOKOSA-N
MW293.32 g/mol
LogP0.76
Rot. Bonds2

About 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one

3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 95725672) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID95725672
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1CCCc2occ(C(=O)N3CCC[C@](O)(CO)C3)c21
InChIInChI=1S/C15H19NO5/c17-9-15(20)5-2-6-16(8-15)14(19)10-7-21-12-4-1-3-11(18)13(10)12/h7,17,20H,1-6,8-9H2/t15-/m1/s1
InChIKeyXYOIWVKZYXBUNS-OAHLLOKOSA-N
XLogP0.76
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one (CID 95725672) is 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one is O=C1CCCc2occ(C(=O)N3CCC[C@](O)(CO)C3)c21.
What is the InChIKey of 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is XYOIWVKZYXBUNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO5/c17-9-15(20)5-2-6-16(8-15)14(19)10-7-21-12-4-1-3-11(18)13(10)12/h7,17,20H,1-6,8-9H2/t15-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 293.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 95725672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).