2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone

C18H28N2O2 — CID 113075008

IUPAC2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-15(2)8-9-19-10-12-20(13-11-19)18(21)14-16-4-6-17(22-3)7-5-16/h4-7,15H,8-14H2,1-3H3
InChIKeySYYUNQLLAMWOHU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone (PubChem CID 113075008) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
PubChem CID113075008
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-15(2)8-9-19-10-12-20(13-11-19)18(21)14-16-4-6-17(22-3)7-5-16/h4-7,15H,8-14H2,1-3H3
InChIKeySYYUNQLLAMWOHU-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylbutyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55746191
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
2-(4-aminophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60964119
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113073801
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
tert-butyl 3-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanoate
CID 56799349
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 71783108
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone (CID 113075008) is 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(CCC(C)C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
The InChIKey is SYYUNQLLAMWOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)8-9-19-10-12-20(13-11-19)18(21)14-16-4-6-17(22-3)7-5-16/h4-7,15H,8-14H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113075008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).