1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one

C20H26N4OS — CID 42950439

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCC1c1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4OS/c25-20(8-11-22-10-3-5-17(22)18-6-4-16-26-18)24-14-12-23(13-15-24)19-7-1-2-9-21-19/h1-2,4,6-7,9,16-17H,3,5,8,10-15H2
InChIKeyTXZALYAHZCLKKT-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one

1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 42950439) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID42950439
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCC1c1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4OS/c25-20(8-11-22-10-3-5-17(22)18-6-4-16-26-18)24-14-12-23(13-15-24)19-7-1-2-9-21-19/h1-2,4,6-7,9,16-17H,3,5,8,10-15H2
InChIKeyTXZALYAHZCLKKT-UHFFFAOYSA-N
XLogP3.02
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199552
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17424096
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120871068
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 25409790
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 17413897
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004744

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one (CID 42950439) is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one is O=C(CCN1CCCC1c1cccs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is TXZALYAHZCLKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20(8-11-22-10-3-5-17(22)18-6-4-16-26-18)24-14-12-23(13-15-24)19-7-1-2-9-21-19/h1-2,4,6-7,9,16-17H,3,5,8,10-15H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 370.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 42950439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).