7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H23N3O3S — CID 51323026

IUPAC7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(=O)C2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-13-28-21-22-17(11-19(25)24(14)21)12-23-9-7-16(8-10-23)20(26)15-3-5-18(27-2)6-4-15/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyNWPSHTQAULYUGL-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.17
Rot. Bonds5

About 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51323026) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51323026
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(=O)C2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-13-28-21-22-17(11-19(25)24(14)21)12-23-9-7-16(8-10-23)20(26)15-3-5-18(27-2)6-4-15/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyNWPSHTQAULYUGL-UHFFFAOYSA-N
XLogP3.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51323026) is 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccc(C(=O)C2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1.
What is the InChIKey of 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NWPSHTQAULYUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-13-28-21-22-17(11-19(25)24(14)21)12-23-9-7-16(8-10-23)20(26)15-3-5-18(27-2)6-4-15/h3-6,11,13,16H,7-10,12H2,1-2H3.
What are the key properties of 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 397.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-methoxybenzoyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51323026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).