2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

C20H23NO3S — CID 70744213

IUPAC2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCC(OCc3ccccc3)CC2)cs1
InChIInChI=1S/C20H23NO3S/c1-15(22)19-11-17(14-25-19)12-20(23)21-9-7-18(8-10-21)24-13-16-5-3-2-4-6-16/h2-6,11,14,18H,7-10,12-13H2,1H3
InChIKeySLYJTTHRYCTNQN-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.70
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (PubChem CID 70744213) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
PubChem CID70744213
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCC(OCc3ccccc3)CC2)cs1
InChIInChI=1S/C20H23NO3S/c1-15(22)19-11-17(14-25-19)12-20(23)21-9-7-18(8-10-21)24-13-16-5-3-2-4-6-16/h2-6,11,14,18H,7-10,12-13H2,1H3
InChIKeySLYJTTHRYCTNQN-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 118782789
2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone
CID 74243874
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
2-(2-methylindol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 46448492
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (CID 70744213) is 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is CC(=O)c1cc(CC(=O)N2CCC(OCc3ccccc3)CC2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The InChIKey is SLYJTTHRYCTNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15(22)19-11-17(14-25-19)12-20(23)21-9-7-18(8-10-21)24-13-16-5-3-2-4-6-16/h2-6,11,14,18H,7-10,12-13H2,1H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone has a molecular weight of 357.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 70744213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).