2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone

C18H19NO3S — CID 110394361

IUPAC2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(c1cccs1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H19NO3S/c20-17(13-22-15-5-2-1-3-6-15)19-10-8-14(9-11-19)18(21)16-7-4-12-23-16/h1-7,12,14H,8-11,13H2
InChIKeyLGYYBASVGPPJOS-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.25
Rot. Bonds5

About 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone

2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110394361) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID110394361
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(c1cccs1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H19NO3S/c20-17(13-22-15-5-2-1-3-6-15)19-10-8-14(9-11-19)18(21)16-7-4-12-23-16/h1-7,12,14H,8-11,13H2
InChIKeyLGYYBASVGPPJOS-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394378
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
(3S)-N-(2-phenoxyethyl)-3-(thiophene-2-carbonyl)piperidine-1-carboxamide
CID 126430496
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394397

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone (CID 110394361) is 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone is O=C(c1cccs1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is LGYYBASVGPPJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-17(13-22-15-5-2-1-3-6-15)19-10-8-14(9-11-19)18(21)16-7-4-12-23-16/h1-7,12,14H,8-11,13H2.
What are the key properties of 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone?
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110394361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).