2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C26H25N3O4S — CID 53268573

IUPAC2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cc(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H25N3O4S/c1-32-21-14-18(10-11-20(21)33-16-23(30)29-12-6-3-7-13-29)24-27-25(31)19-15-22(34-26(19)28-24)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,27,28,31)
InChIKeyVRHTUXOBEQQJOC-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.72
Rot. Bonds6

About 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 53268573) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID53268573
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cc(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H25N3O4S/c1-32-21-14-18(10-11-20(21)33-16-23(30)29-12-6-3-7-13-29)24-27-25(31)19-15-22(34-26(19)28-24)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,27,28,31)
InChIKeyVRHTUXOBEQQJOC-UHFFFAOYSA-N
XLogP4.72
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552184
2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268657
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268728
2-[2-methoxy-4-(3-oxo-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-5-yl)phenoxy]-N-phenylacetamide
CID 126010168
2-[2-methoxy-4-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)phenoxy]acetamide
CID 126000711
N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide
CID 112835143
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-[2-methoxy-4-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid
CID 2927432
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 2106367

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 53268573) is 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is COc1cc(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VRHTUXOBEQQJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-32-21-14-18(10-11-20(21)33-16-23(30)29-12-6-3-7-13-29)24-27-25(31)19-15-22(34-26(19)28-24)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,27,28,31).
What are the key properties of 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 475.57 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53268573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).