2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone

C18H28N2O — CID 63633398

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CCN(C)C(CC)C2)cc1
InChIInChI=1S/C18H28N2O/c1-4-6-15-7-9-16(10-8-15)18(21)14-20-12-11-19(3)17(5-2)13-20/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyRQFHYCFXPFAPAL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.85
Rot. Bonds6

About 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone

2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone (PubChem CID 63633398) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
PubChem CID63633398
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CCN(C)C(CC)C2)cc1
InChIInChI=1S/C18H28N2O/c1-4-6-15-7-9-16(10-8-15)18(21)14-20-12-11-19(3)17(5-2)13-20/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyRQFHYCFXPFAPAL-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)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

2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 63633578
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
CID 63608714
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 63634796
2-(4-methylpiperazin-1-yl)-1-(4-octylphenyl)ethanone
CID 170861609
1-(4-propylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030887
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63634616
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone
CID 102933617

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone (CID 63633398) is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN2CCN(C)C(CC)C2)cc1.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone?
The InChIKey is RQFHYCFXPFAPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-6-15-7-9-16(10-8-15)18(21)14-20-12-11-19(3)17(5-2)13-20/h7-10,17H,4-6,11-14H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone?
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 63633398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).