oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone

C17H23NO3 — CID 70751662

IUPACoxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c19-17(15-8-11-20-13-15)18-9-6-16(7-10-18)21-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyMGNYBCWZFSQHHH-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.23
Rot. Bonds4

About oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone

oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 70751662) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID70751662
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Nameoxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c19-17(15-8-11-20-13-15)18-9-6-16(7-10-18)21-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyMGNYBCWZFSQHHH-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone (CID 70751662) is oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone is O=C(C1CCOC1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is MGNYBCWZFSQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(15-8-11-20-13-15)18-9-6-16(7-10-18)21-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2.
What are the key properties of oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 289.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 70751662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).