1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone

C21H23NO3S — CID 70780899

IUPAC1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
SMILESCC(=O)c1cc(CC(=O)N2CCCC(C(=O)Cc3ccccc3)C2)cs1
InChIInChI=1S/C21H23NO3S/c1-15(23)20-11-17(14-26-20)12-21(25)22-9-5-8-18(13-22)19(24)10-16-6-3-2-4-7-16/h2-4,6-7,11,14,18H,5,8-10,12-13H2,1H3
InChIKeyZIALJYLBXMWOQX-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.54
Rot. Bonds6

About 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone

1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone (PubChem CID 70780899) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
PubChem CID70780899
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
SMILESCC(=O)c1cc(CC(=O)N2CCCC(C(=O)Cc3ccccc3)C2)cs1
InChIInChI=1S/C21H23NO3S/c1-15(23)20-11-17(14-26-20)12-21(25)22-9-5-8-18(13-22)19(24)10-16-6-3-2-4-7-16/h2-4,6-7,11,14,18H,5,8-10,12-13H2,1H3
InChIKeyZIALJYLBXMWOQX-UHFFFAOYSA-N
XLogP3.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744213
2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 118789182
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
CID 95214767
3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45186054
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
3-methyl-5-[2-oxo-2-[3-(2-phenylacetyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70758226
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone (CID 70780899) is 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone is CC(=O)c1cc(CC(=O)N2CCCC(C(=O)Cc3ccccc3)C2)cs1.
What is the InChIKey of 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
The InChIKey is ZIALJYLBXMWOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-15(23)20-11-17(14-26-20)12-21(25)22-9-5-8-18(13-22)19(24)10-16-6-3-2-4-7-16/h2-4,6-7,11,14,18H,5,8-10,12-13H2,1H3.
What are the key properties of 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone has a molecular weight of 369.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 70780899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).