2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one

C24H29NO3 — CID 15837899

IUPAC2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one
SMILESO=C1c2cccc(OCC(O)CN3CCCCC3)c2CC1Cc1ccccc1
InChIInChI=1S/C24H29NO3/c26-20(16-25-12-5-2-6-13-25)17-28-23-11-7-10-21-22(23)15-19(24(21)27)14-18-8-3-1-4-9-18/h1,3-4,7-11,19-20,26H,2,5-6,12-17H2
InChIKeyDITMQNKAIRJEEF-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.51
Rot. Bonds7

About 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one

2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one (PubChem CID 15837899) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one
PubChem CID15837899
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one
SMILESO=C1c2cccc(OCC(O)CN3CCCCC3)c2CC1Cc1ccccc1
InChIInChI=1S/C24H29NO3/c26-20(16-25-12-5-2-6-13-25)17-28-23-11-7-10-21-22(23)15-19(24(21)27)14-18-8-3-1-4-9-18/h1,3-4,7-11,19-20,26H,2,5-6,12-17H2
InChIKeyDITMQNKAIRJEEF-UHFFFAOYSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one (CID 15837899) is 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one is O=C1c2cccc(OCC(O)CN3CCCCC3)c2CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one?
The InChIKey is DITMQNKAIRJEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-20(16-25-12-5-2-6-13-25)17-28-23-11-7-10-21-22(23)15-19(24(21)27)14-18-8-3-1-4-9-18/h1,3-4,7-11,19-20,26H,2,5-6,12-17H2.
What are the key properties of 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one?
2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(2-hydroxy-3-piperidin-1-ylpropoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 15837899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).