1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone

C19H28N2O3 — CID 134020442

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-23-17-7-9-18(10-8-17)24-15-19(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3
InChIKeyHYWCPDQMMAVVQT-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone (PubChem CID 134020442) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
PubChem CID134020442
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-23-17-7-9-18(10-8-17)24-15-19(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3
InChIKeyHYWCPDQMMAVVQT-UHFFFAOYSA-N
XLogP2.55
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067
2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 136579670
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 131909615
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
2-(4-ethoxyphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 108536689
2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224272

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone (CID 134020442) is 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone is CCOc1ccc(OCC(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone?
The InChIKey is HYWCPDQMMAVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-23-17-7-9-18(10-8-17)24-15-19(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone is sourced from PubChem (CID 134020442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).