piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate

C20H25N3O5S — CID 66751921

IUPACpiperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate
SMILESO=C(CCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O)ON1CCCCC1
InChIInChI=1S/C20H25N3O5S/c24-17-7-6-16(23-11-14-12-29-13-15(14)19(23)26)20(27)22(17)10-4-5-18(25)28-21-8-2-1-3-9-21/h12-13,16H,1-11H2
InChIKeyJIOJLQJDYZYZMT-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.95
Rot. Bonds6

About piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate

piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate (PubChem CID 66751921) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Namepiperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate
PubChem CID66751921
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Namepiperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate
SMILESO=C(CCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O)ON1CCCCC1
InChIInChI=1S/C20H25N3O5S/c24-17-7-6-16(23-11-14-12-29-13-15(14)19(23)26)20(27)22(17)10-4-5-18(25)28-21-8-2-1-3-9-21/h12-13,16H,1-11H2
InChIKeyJIOJLQJDYZYZMT-UHFFFAOYSA-N
XLogP1.95
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate 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 piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate?
The IUPAC name of piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate (CID 66751921) is piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate.
What is the SMILES notation for piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate?
The canonical SMILES for piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate is O=C(CCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O)ON1CCCCC1.
What is the InChIKey of piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate?
The InChIKey is JIOJLQJDYZYZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c24-17-7-6-16(23-11-14-12-29-13-15(14)19(23)26)20(27)22(17)10-4-5-18(25)28-21-8-2-1-3-9-21/h12-13,16H,1-11H2.
What are the key properties of piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate?
piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate has a molecular weight of 419.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate is sourced from PubChem (CID 66751921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).