1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione

C17H19N3O2S — CID 3504933

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-14(15-4-3-13-23-15)6-7-17(22)20-11-9-19(10-12-20)16-5-1-2-8-18-16/h1-5,8,13H,6-7,9-12H2
InChIKeyOSIVCEAQSBFDBV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione

1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 3504933) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
PubChem CID3504933
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-14(15-4-3-13-23-15)6-7-17(22)20-11-9-19(10-12-20)16-5-1-2-8-18-16/h1-5,8,13H,6-7,9-12H2
InChIKeyOSIVCEAQSBFDBV-UHFFFAOYSA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione 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

2-Thiophenecarboxamide, N-2-pyridinyl-
CID 759105
2-[4-(4-Thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]isoindole-1,3-dione;hydrochloride
CID 45259331
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 18106949
4-keto-N-(3-methyl-2-pyridyl)-4-(2-thienyl)butyramide
CID 18106997
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
6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 11023903
5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 11121409
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
1-[(3-Methyl-2-thienyl)carbonyl]-4-(2-pyridinyl)piperazine
CID 3283010
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 653187

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione (CID 3504933) is 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione is O=C(CCC(=O)N1CCN(c2ccccn2)CC1)c1cccs1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is OSIVCEAQSBFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-14(15-4-3-13-23-15)6-7-17(22)20-11-9-19(10-12-20)16-5-1-2-8-18-16/h1-5,8,13H,6-7,9-12H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
1-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 329.43 g/mol, XLogP of 2.45, 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)-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 3504933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).