3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one

C21H30N2O3 — CID 651244

IUPAC3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-17-6-9-19(10-7-17)26-16-21(25)23-14-12-22(13-15-23)20(24)11-8-18-4-2-3-5-18/h6-7,9-10,18H,2-5,8,11-16H2,1H3
InChIKeyHGYZIEUIMGUKRR-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.02
Rot. Bonds6

About 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 651244) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one
PubChem CID651244
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-17-6-9-19(10-7-17)26-16-21(25)23-14-12-22(13-15-23)20(24)11-8-18-4-2-3-5-18/h6-7,9-10,18H,2-5,8,11-16H2,1H3
InChIKeyHGYZIEUIMGUKRR-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one 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-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
CID 35751
1-[(4-Methoxyphenyl)acetyl]-4-methylpiperazine
CID 551032
Acetophenone, 4'-morpholinocarbonylmethoxy-
CID 34762
1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
3-(4-Isopropoxyphenyl)-4-methyl-1-morpholinopentan-1-one
CID 3365865
3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4384413
2-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4882415
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 9110593
1-acetyl-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9439687
1-[4-[2-(4-Methoxyphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
CID 1530469
1-(4-Morpholinyl)-2-(4-phenylphenoxy)-1-propanone
CID 2968920

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one (CID 651244) is 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one is Cc1ccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1.
What is the InChIKey of 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is HGYZIEUIMGUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-17-6-9-19(10-7-17)26-16-21(25)23-14-12-22(13-15-23)20(24)11-8-18-4-2-3-5-18/h6-7,9-10,18H,2-5,8,11-16H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 358.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 651244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).