3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

C15H19N3O3S — CID 3575140

IUPAC3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)CCn2c(=O)[nH]c3ccsc3c2=O)CC1
InChIInChI=1S/C15H19N3O3S/c1-10-2-6-17(7-3-10)12(19)4-8-18-14(20)13-11(5-9-22-13)16-15(18)21/h5,9-10H,2-4,6-8H2,1H3,(H,16,21)
InChIKeyKBJJUVKTODFGQU-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.40
Rot. Bonds3

About 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 3575140) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID3575140
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)CCn2c(=O)[nH]c3ccsc3c2=O)CC1
InChIInChI=1S/C15H19N3O3S/c1-10-2-6-17(7-3-10)12(19)4-8-18-14(20)13-11(5-9-22-13)16-15(18)21/h5,9-10H,2-4,6-8H2,1H3,(H,16,21)
InChIKeyKBJJUVKTODFGQU-UHFFFAOYSA-N
XLogP1.40
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 3575140) is 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is CC1CCN(C(=O)CCn2c(=O)[nH]c3ccsc3c2=O)CC1.
What is the InChIKey of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is KBJJUVKTODFGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-2-6-17(7-3-10)12(19)4-8-18-14(20)13-11(5-9-22-13)16-15(18)21/h5,9-10H,2-4,6-8H2,1H3,(H,16,21).
What are the key properties of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 321.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3575140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).