2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone

C16H24N2O — CID 6469987

IUPAC2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-3-7-17-8-10-18(11-9-17)16(19)13-15-6-4-5-14(2)12-15/h4-6,12H,3,7-11,13H2,1-2H3
InChIKeyCOWYSMQDJIKDFP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds4

About 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone

2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 6469987) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID6469987
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-3-7-17-8-10-18(11-9-17)16(19)13-15-6-4-5-14(2)12-15/h4-6,12H,3,7-11,13H2,1-2H3
InChIKeyCOWYSMQDJIKDFP-UHFFFAOYSA-N
XLogP2.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)-1-(4-propylpiperazin-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-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113074361
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113003721
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113074118
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324
2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561106
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
2-[4-[2-(3-methylphenyl)acetyl]piperazine-1-carbonyl]benzoic acid
CID 113083261

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone (CID 6469987) is 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is COWYSMQDJIKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-7-17-8-10-18(11-9-17)16(19)13-15-6-4-5-14(2)12-15/h4-6,12H,3,7-11,13H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone?
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 6469987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).