1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one

C18H24N4OS — CID 136518385

IUPAC1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCc1cc2c(N3CCC(CN4CCCCC4=O)CC3)ncnc2s1
InChIInChI=1S/C18H24N4OS/c1-13-10-15-17(19-12-20-18(15)24-13)21-8-5-14(6-9-21)11-22-7-3-2-4-16(22)23/h10,12,14H,2-9,11H2,1H3
InChIKeyPQFQBWVQCUQXML-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.23
Rot. Bonds3

About 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 136518385) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID136518385
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCc1cc2c(N3CCC(CN4CCCCC4=O)CC3)ncnc2s1
InChIInChI=1S/C18H24N4OS/c1-13-10-15-17(19-12-20-18(15)24-13)21-8-5-14(6-9-21)11-22-7-3-2-4-16(22)23/h10,12,14H,2-9,11H2,1H3
InChIKeyPQFQBWVQCUQXML-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one (CID 136518385) is 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one is Cc1cc2c(N3CCC(CN4CCCCC4=O)CC3)ncnc2s1.
What is the InChIKey of 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is PQFQBWVQCUQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-10-15-17(19-12-20-18(15)24-13)21-8-5-14(6-9-21)11-22-7-3-2-4-16(22)23/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 344.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 136518385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).