2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone

C21H23NO3 — CID 23723561

IUPAC2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H23NO3/c1-25-15-20(23)22-13-5-8-19(14-22)21(24)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3
InChIKeyRDZNHZXYYNFSGO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.42
Rot. Bonds5

About 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone

2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone (PubChem CID 23723561) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone
PubChem CID23723561
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H23NO3/c1-25-15-20(23)22-13-5-8-19(14-22)21(24)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3
InChIKeyRDZNHZXYYNFSGO-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone (CID 23723561) is 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone is COCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone?
The InChIKey is RDZNHZXYYNFSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-25-15-20(23)22-13-5-8-19(14-22)21(24)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3.
What are the key properties of 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone?
2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(4-phenylbenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 23723561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).