4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C14H19N3O2S — CID 7185342

IUPAC4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCCCC1
InChIInChI=1S/C14H19N3O2S/c18-12(17-7-2-1-3-8-17)9-20-13-10-5-4-6-11(10)15-14(19)16-13/h1-9H2,(H,15,16,19)
InChIKeyJTTKZYFQQPQEHJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.36
Rot. Bonds3

About 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 7185342) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID7185342
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCCCC1
InChIInChI=1S/C14H19N3O2S/c18-12(17-7-2-1-3-8-17)9-20-13-10-5-4-6-11(10)15-14(19)16-13/h1-9H2,(H,15,16,19)
InChIKeyJTTKZYFQQPQEHJ-UHFFFAOYSA-N
XLogP1.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 7185342) is 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is O=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCCCC1.
What is the InChIKey of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is JTTKZYFQQPQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-12(17-7-2-1-3-8-17)9-20-13-10-5-4-6-11(10)15-14(19)16-13/h1-9H2,(H,15,16,19).
What are the key properties of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 293.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 7185342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).