3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C17H23N3O3S — CID 3237554

IUPAC3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1
InChIInChI=1S/C17H23N3O3S/c21-14(19-9-4-2-5-10-19)7-3-1-6-11-20-16(22)15-13(8-12-24-15)18-17(20)23/h8,12H,1-7,9-11H2,(H,18,23)
InChIKeyYYPWETYFIPQZEL-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.32
Rot. Bonds6

About 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 3237554) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID3237554
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1
InChIInChI=1S/C17H23N3O3S/c21-14(19-9-4-2-5-10-19)7-3-1-6-11-20-16(22)15-13(8-12-24-15)18-17(20)23/h8,12H,1-7,9-11H2,(H,18,23)
InChIKeyYYPWETYFIPQZEL-UHFFFAOYSA-N
XLogP2.32
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 3237554) is 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1.
What is the InChIKey of 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YYPWETYFIPQZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-14(19-9-4-2-5-10-19)7-3-1-6-11-20-16(22)15-13(8-12-24-15)18-17(20)23/h8,12H,1-7,9-11H2,(H,18,23).
What are the key properties of 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 349.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-6-piperidin-1-ylhexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3237554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).