5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one

C19H21NO4 — CID 51054662

IUPAC5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one
SMILESO=C(COc1coc(CN2CCCCC2)cc1=O)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17-11-16(12-20-9-5-2-6-10-20)23-14-19(17)24-13-18(22)15-7-3-1-4-8-15/h1,3-4,7-8,11,14H,2,5-6,9-10,12-13H2
InChIKeyPUEOJPGGKWIZKN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.89
Rot. Bonds6

About 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one

5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one (PubChem CID 51054662) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one
PubChem CID51054662
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one
SMILESO=C(COc1coc(CN2CCCCC2)cc1=O)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17-11-16(12-20-9-5-2-6-10-20)23-14-19(17)24-13-18(22)15-7-3-1-4-8-15/h1,3-4,7-8,11,14H,2,5-6,9-10,12-13H2
InChIKeyPUEOJPGGKWIZKN-UHFFFAOYSA-N
XLogP2.89
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one?
The IUPAC name of 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one (CID 51054662) is 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one.
What is the SMILES notation for 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one?
The canonical SMILES for 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one is O=C(COc1coc(CN2CCCCC2)cc1=O)c1ccccc1.
What is the InChIKey of 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one?
The InChIKey is PUEOJPGGKWIZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-17-11-16(12-20-9-5-2-6-10-20)23-14-19(17)24-13-18(22)15-7-3-1-4-8-15/h1,3-4,7-8,11,14H,2,5-6,9-10,12-13H2.
What are the key properties of 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one?
5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenacyloxy-2-(piperidin-1-ylmethyl)pyran-4-one is sourced from PubChem (CID 51054662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).