1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride

C20H27ClN4O2S — CID 45259319

IUPAC1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCCC(=O)N1CCCCN1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C20H26N4O2S.ClH/c25-18-4-3-5-19(26)24(18)10-2-1-9-22-11-13-23(14-12-22)20-16-7-15-27-17(16)6-8-21-20;/h6-8,15H,1-5,9-14H2;1H
InChIKeyBATSAHJMDFNCPN-UHFFFAOYSA-N
MW422.98 g/mol
LogP3.16
Rot. Bonds6

About 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride

1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride (PubChem CID 45259319) has the molecular formula C20H27ClN4O2S and a molecular weight of 422.98 g/mol. Its IUPAC name is 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride
PubChem CID45259319
Molecular FormulaC20H27ClN4O2S
Molecular Weight422.98 g/mol
Exact Mass422.15
IUPAC Name1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCCC(=O)N1CCCCN1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C20H26N4O2S.ClH/c25-18-4-3-5-19(26)24(18)10-2-1-9-22-11-13-23(14-12-22)20-16-7-15-27-17(16)6-8-21-20;/h6-8,15H,1-5,9-14H2;1H
InChIKeyBATSAHJMDFNCPN-UHFFFAOYSA-N
XLogP3.16
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride (CID 45259319) is 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride is Cl.O=C1CCCC(=O)N1CCCCN1CCN(c2nccc3sccc23)CC1.
What is the InChIKey of 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride?
The InChIKey is BATSAHJMDFNCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S.ClH/c25-18-4-3-5-19(26)24(18)10-2-1-9-22-11-13-23(14-12-22)20-16-7-15-27-17(16)6-8-21-20;/h6-8,15H,1-5,9-14H2;1H.
What are the key properties of 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride?
1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 45259319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).