2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

C19H24N4OS — CID 51199552

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCCC1c1cccs1
InChIInChI=1S/C19H24N4OS/c24-19(23-9-3-5-16(23)17-6-4-14-25-17)15-21-10-12-22(13-11-21)18-7-1-2-8-20-18/h1-2,4,6-8,14,16H,3,5,9-13,15H2
InChIKeyBBILXAUMZTZHTM-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 51199552) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
PubChem CID51199552
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCCC1c1cccs1
InChIInChI=1S/C19H24N4OS/c24-19(23-9-3-5-16(23)17-6-4-14-25-17)15-21-10-12-22(13-11-21)18-7-1-2-8-20-18/h1-2,4,6-8,14,16H,3,5,9-13,15H2
InChIKeyBBILXAUMZTZHTM-UHFFFAOYSA-N
XLogP2.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 17413897
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 42950439
2-pyridin-2-ylsulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 47110609
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 119651248
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 63031694
2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 86895330
2-(3-pyrazol-1-ylazetidin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95611948
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95763078
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (CID 51199552) is 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1CCCC1c1cccs1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is BBILXAUMZTZHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(23-9-3-5-16(23)17-6-4-14-25-17)15-21-10-12-22(13-11-21)18-7-1-2-8-20-18/h1-2,4,6-8,14,16H,3,5,9-13,15H2.
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 356.49 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 51199552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).