2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone

C17H26N2O2 — CID 82250736

IUPAC2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(C)NCC2C(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)16-10-18-13(3)11-19(16)17(20)9-14-5-7-15(21-4)8-6-14/h5-8,12-13,16,18H,9-11H2,1-4H3
InChIKeyYLQVJYCXQBHIQX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone

2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 82250736) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID82250736
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(C)NCC2C(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)16-10-18-13(3)11-19(16)17(20)9-14-5-7-15(21-4)8-6-14/h5-8,12-13,16,18H,9-11H2,1-4H3
InChIKeyYLQVJYCXQBHIQX-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
2-(4-methoxyphenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82246398
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 102783606
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 102679982

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone (CID 82250736) is 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CC(C)NCC2C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is YLQVJYCXQBHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)16-10-18-13(3)11-19(16)17(20)9-14-5-7-15(21-4)8-6-14/h5-8,12-13,16,18H,9-11H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(5-methyl-2-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 82250736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).