4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

C19H19N3O2S — CID 1478199

IUPAC4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C19H19N3O2S/c23-19(24)16-11-15-17(20-12-21-18(15)25-16)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,23,24)
InChIKeyAHZKGBXPBZDFRK-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.85
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 1478199) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID1478199
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C19H19N3O2S/c23-19(24)16-11-15-17(20-12-21-18(15)25-16)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,23,24)
InChIKeyAHZKGBXPBZDFRK-UHFFFAOYSA-N
XLogP3.85
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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CID 28855509
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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 1478199) is 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is AHZKGBXPBZDFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-19(24)16-11-15-17(20-12-21-18(15)25-16)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,23,24).
What are the key properties of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 353.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 1478199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).