1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone

C17H25NO3 — CID 53150818

IUPAC1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOCCC1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25NO3/c1-20-11-8-14-6-9-18(10-7-14)17(19)13-15-4-3-5-16(12-15)21-2/h3-5,12,14H,6-11,13H2,1-2H3
InChIKeyLOFZBUFJQVLMCW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone

1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 53150818) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID53150818
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOCCC1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25NO3/c1-20-11-8-14-6-9-18(10-7-14)17(19)13-15-4-3-5-16(12-15)21-2/h3-5,12,14H,6-11,13H2,1-2H3
InChIKeyLOFZBUFJQVLMCW-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 53150818) is 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is COCCC1CCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is LOFZBUFJQVLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-11-8-14-6-9-18(10-7-14)17(19)13-15-4-3-5-16(12-15)21-2/h3-5,12,14H,6-11,13H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 53150818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).