2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone

C20H27NO3 — CID 51092131

IUPAC2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
SMILESCCOc1ccccc1OC1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C20H27NO3/c1-2-23-18-9-5-6-10-19(18)24-17-11-13-21(14-12-17)20(22)15-16-7-3-4-8-16/h3,5-7,9-10,16-17H,2,4,8,11-15H2,1H3
InChIKeyWADQSPGNASYYFM-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.81
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone (PubChem CID 51092131) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
PubChem CID51092131
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
SMILESCCOc1ccccc1OC1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C20H27NO3/c1-2-23-18-9-5-6-10-19(18)24-17-11-13-21(14-12-17)20(22)15-16-7-3-4-8-16/h3,5-7,9-10,16-17H,2,4,8,11-15H2,1H3
InChIKeyWADQSPGNASYYFM-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one
CID 94669739
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 95299608
N-carbamoyl-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47073341
4-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]imidazolidin-2-one
CID 71877831
1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552560
5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 51092133
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone
CID 56819044
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 100844187
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
2-cyclopent-2-en-1-yl-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]ethanone
CID 122133256
1-[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 25474366

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone (CID 51092131) is 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone is CCOc1ccccc1OC1CCN(C(=O)CC2C=CCC2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone?
The InChIKey is WADQSPGNASYYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-23-18-9-5-6-10-19(18)24-17-11-13-21(14-12-17)20(22)15-16-7-3-4-8-16/h3,5-7,9-10,16-17H,2,4,8,11-15H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 51092131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).