1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C17H26N2O2 — CID 93193900

IUPAC1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)c(C(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)16-11-14(21-4)5-6-15(16)17(20)12-19-9-7-18(3)8-10-19/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyKALPHMVFUPOKSL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 93193900) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID93193900
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)CC2)c(C(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)16-11-14(21-4)5-6-15(16)17(20)12-19-9-7-18(3)8-10-19/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyKALPHMVFUPOKSL-UHFFFAOYSA-N
XLogP2.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid
CID 82054166
1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862125
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861545
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861732
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862095
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 93193900) is 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc(C(=O)CN2CCN(C)CC2)c(C(C)C)c1.
What is the InChIKey of 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KALPHMVFUPOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)16-11-14(21-4)5-6-15(16)17(20)12-19-9-7-18(3)8-10-19/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 93193900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).