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

C22H25NO3 — CID 55955179

IUPAC2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H25NO3/c1-16-6-8-18(9-7-16)22(25)19-10-12-23(13-11-19)21(24)15-17-4-3-5-20(14-17)26-2/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyFCXYZAZZKOIPDJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds5

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

2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone (PubChem CID 55955179) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
PubChem CID55955179
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H25NO3/c1-16-6-8-18(9-7-16)22(25)19-10-12-23(13-11-19)21(24)15-17-4-3-5-20(14-17)26-2/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyFCXYZAZZKOIPDJ-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 25472870
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 38462830
3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
CID 108935442

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone (CID 55955179) is 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone is COc1cccc(CC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
The InChIKey is FCXYZAZZKOIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16-6-8-18(9-7-16)22(25)19-10-12-23(13-11-19)21(24)15-17-4-3-5-20(14-17)26-2/h3-9,14,19H,10-13,15H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55955179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).