2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone

C19H23N3O2S — CID 70735508

IUPAC2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCN(c3cc(C)nc(C)c3)CC2)cs1
InChIInChI=1S/C19H23N3O2S/c1-13-8-17(9-14(2)20-13)21-4-6-22(7-5-21)19(24)11-16-10-18(15(3)23)25-12-16/h8-10,12H,4-7,11H2,1-3H3
InChIKeyUTKMZBOARQUBHR-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.85
Rot. Bonds4

About 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone

2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 70735508) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone
PubChem CID70735508
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCN(c3cc(C)nc(C)c3)CC2)cs1
InChIInChI=1S/C19H23N3O2S/c1-13-8-17(9-14(2)20-13)21-4-6-22(7-5-21)19(24)11-16-10-18(15(3)23)25-12-16/h8-10,12H,4-7,11H2,1-3H3
InChIKeyUTKMZBOARQUBHR-UHFFFAOYSA-N
XLogP2.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 74247158
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649
4-[2-oxo-2-(4-phenyl-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxylic acid
CID 166289673
2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone
CID 74243874
2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 118782789
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744213
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 55605438
9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171910779
(5S)-2-[2-(5-acetylthiophen-3-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125043
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
1-[4-(5-acetylthiophene-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone
CID 137343954

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone (CID 70735508) is 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone is CC(=O)c1cc(CC(=O)N2CCN(c3cc(C)nc(C)c3)CC2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is UTKMZBOARQUBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-8-17(9-14(2)20-13)21-4-6-22(7-5-21)19(24)11-16-10-18(15(3)23)25-12-16/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone?
2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 357.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70735508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).