2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one

C20H23NO4 — CID 56918025

IUPAC2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCC(C(C)=O)(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C20H23NO4/c1-15(22)20(16-6-4-3-5-7-16)8-10-21(11-9-20)13-17-12-18(23)19(24-2)14-25-17/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyCPAYXKBEHGHLGJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.77
Rot. Bonds5

About 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one

2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one (PubChem CID 56918025) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one
PubChem CID56918025
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCC(C(C)=O)(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C20H23NO4/c1-15(22)20(16-6-4-3-5-7-16)8-10-21(11-9-20)13-17-12-18(23)19(24-2)14-25-17/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyCPAYXKBEHGHLGJ-UHFFFAOYSA-N
XLogP2.77
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-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 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one (CID 56918025) is 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one is COc1coc(CN2CCC(C(C)=O)(c3ccccc3)CC2)cc1=O.
What is the InChIKey of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one?
The InChIKey is CPAYXKBEHGHLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(22)20(16-6-4-3-5-7-16)8-10-21(11-9-20)13-17-12-18(23)19(24-2)14-25-17/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one?
2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one has a molecular weight of 341.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-5-methoxypyran-4-one is sourced from PubChem (CID 56918025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).