1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone

C15H17N3OS — CID 762642

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N3OS/c19-15(12-13-4-3-11-20-13)18-9-7-17(8-10-18)14-5-1-2-6-16-14/h1-6,11H,7-10,12H2
InChIKeyBTHRHNZRYDFSNR-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone

1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 762642) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone
PubChem CID762642
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N3OS/c19-15(12-13-4-3-11-20-13)18-9-7-17(8-10-18)14-5-1-2-6-16-14/h1-6,11H,7-10,12H2
InChIKeyBTHRHNZRYDFSNR-UHFFFAOYSA-N
XLogP2.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methapyrilene
CID 4098
Thenyldiamine
CID 7066
Methapyrilene Hydrochloride
CID 8667
2-Thiophenecarboxamide, N-2-pyridinyl-
CID 759105
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
N-(2-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 2811167
1-(4-Pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 3504933
N-(6-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 3776044
N-pyridin-2-yl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 574188
N-methyl-4-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophenecarboxamide
CID 6503958
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
N-pyridin-2-yl-2-thiophen-2-ylacetamide
CID 836204

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone (CID 762642) is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is BTHRHNZRYDFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(12-13-4-3-11-20-13)18-9-7-17(8-10-18)14-5-1-2-6-16-14/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone?
1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 287.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 762642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).