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

C15H19N3O3S — CID 3245040

IUPAC3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1
InChIInChI=1S/C15H19N3O3S/c19-12(17-7-2-1-3-8-17)5-4-9-18-14(20)13-11(6-10-22-13)16-15(18)21/h6,10H,1-5,7-9H2,(H,16,21)
InChIKeyWXUWAACHFWJEJG-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.54
Rot. Bonds4

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

3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 3245040) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID3245040
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1
InChIInChI=1S/C15H19N3O3S/c19-12(17-7-2-1-3-8-17)5-4-9-18-14(20)13-11(6-10-22-13)16-15(18)21/h6,10H,1-5,7-9H2,(H,16,21)
InChIKeyWXUWAACHFWJEJG-UHFFFAOYSA-N
XLogP1.54
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 3245040) is 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1.
What is the InChIKey of 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is WXUWAACHFWJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-12(17-7-2-1-3-8-17)5-4-9-18-14(20)13-11(6-10-22-13)16-15(18)21/h6,10H,1-5,7-9H2,(H,16,21).
What are the key properties of 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 321.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-4-piperidin-1-ylbutyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3245040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).