3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one

C23H34N4O2S — CID 110219493

IUPAC3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2ncn(C3CCCN(CC(=O)N4C(C)CCCC4C)C3)c(=O)c12
InChIInChI=1S/C23H34N4O2S/c1-5-19-17(4)30-22-21(19)23(29)26(14-24-22)18-10-7-11-25(12-18)13-20(28)27-15(2)8-6-9-16(27)3/h14-16,18H,5-13H2,1-4H3
InChIKeyKVIFAHCOEATTHL-UHFFFAOYSA-N
MW430.62 g/mol
LogP3.76
Rot. Bonds4

About 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one

3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 110219493) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID110219493
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2ncn(C3CCCN(CC(=O)N4C(C)CCCC4C)C3)c(=O)c12
InChIInChI=1S/C23H34N4O2S/c1-5-19-17(4)30-22-21(19)23(29)26(14-24-22)18-10-7-11-25(12-18)13-20(28)27-15(2)8-6-9-16(27)3/h14-16,18H,5-13H2,1-4H3
InChIKeyKVIFAHCOEATTHL-UHFFFAOYSA-N
XLogP3.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one (CID 110219493) is 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2ncn(C3CCCN(CC(=O)N4C(C)CCCC4C)C3)c(=O)c12.
What is the InChIKey of 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KVIFAHCOEATTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-5-19-17(4)30-22-21(19)23(29)26(14-24-22)18-10-7-11-25(12-18)13-20(28)27-15(2)8-6-9-16(27)3/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 430.62 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110219493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).