1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone

C19H28N2O2 — CID 18456277

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C19H28N2O2/c1-15-6-5-9-18(16(15)2)23-14-19(22)21-12-10-20(11-13-21)17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3
InChIKeyGAXXEGJJRCGGDE-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone (PubChem CID 18456277) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
PubChem CID18456277
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C19H28N2O2/c1-15-6-5-9-18(16(15)2)23-14-19(22)21-12-10-20(11-13-21)17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3
InChIKeyGAXXEGJJRCGGDE-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)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-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]oxolan-2-one
CID 42960406
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 85026674
2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 37387185
1-[2-(2,3-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092118
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 134020517
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone (CID 18456277) is 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCN(C3CCCC3)CC2)c1C.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The InChIKey is GAXXEGJJRCGGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-6-5-9-18(16(15)2)23-14-19(22)21-12-10-20(11-13-21)17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone has a molecular weight of 316.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone is sourced from PubChem (CID 18456277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).