3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C23H34N4O3S — CID 110221502

IUPAC3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC3(O)CCN(C(=O)CCN4CCCCC4C)CC3)c(=O)c2c1C
InChIInChI=1S/C23H34N4O3S/c1-16-6-4-5-10-25(16)11-7-19(28)26-12-8-23(30,9-13-26)14-27-15-24-21-20(22(27)29)17(2)18(3)31-21/h15-16,30H,4-14H2,1-3H3
InChIKeyBDOJSHWKRJNBFW-UHFFFAOYSA-N
MW446.62 g/mol
LogP2.69
Rot. Bonds5

About 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 110221502) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID110221502
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC Name3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC3(O)CCN(C(=O)CCN4CCCCC4C)CC3)c(=O)c2c1C
InChIInChI=1S/C23H34N4O3S/c1-16-6-4-5-10-25(16)11-7-19(28)26-12-8-23(30,9-13-26)14-27-15-24-21-20(22(27)29)17(2)18(3)31-21/h15-16,30H,4-14H2,1-3H3
InChIKeyBDOJSHWKRJNBFW-UHFFFAOYSA-N
XLogP2.69
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[[4-hydroxy-1-[2-(2-methylpiperidin-1-yl)acetyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 110221497
3-[[4-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 92598138
5,6-dimethyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 18148112
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 110883968
5,6-dimethyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 6938222
3-[[1-[2-(3-fluorophenoxy)acetyl]-4-hydroxypiperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 92598107
5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 119490382
3-(2-cyclopentyl-2-oxoethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 115648591
3-[[4-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 92598177
3-[[4-hydroxy-1-(2-phenylpropyl)piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46955002
3-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 36508997
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7939727

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 110221502) is 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(CC3(O)CCN(C(=O)CCN4CCCCC4C)CC3)c(=O)c2c1C.
What is the InChIKey of 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BDOJSHWKRJNBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-16-6-4-5-10-25(16)11-7-19(28)26-12-8-23(30,9-13-26)14-27-15-24-21-20(22(27)29)17(2)18(3)31-21/h15-16,30H,4-14H2,1-3H3.
What are the key properties of 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 446.62 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-[3-(2-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110221502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).