1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one

C16H27N3O3S — CID 45175347

IUPAC1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCSCC2)CN1CCN1CCOCC1
InChIInChI=1S/C16H27N3O3S/c20-15-2-1-14(16(21)18-7-11-23-12-8-18)13-19(15)4-3-17-5-9-22-10-6-17/h14H,1-13H2
InChIKeyUVEMIMBETKNZTR-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.13
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one

1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (PubChem CID 45175347) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
PubChem CID45175347
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCSCC2)CN1CCN1CCOCC1
InChIInChI=1S/C16H27N3O3S/c20-15-2-1-14(16(21)18-7-11-23-12-8-18)13-19(15)4-3-17-5-9-22-10-6-17/h14H,1-13H2
InChIKeyUVEMIMBETKNZTR-UHFFFAOYSA-N
XLogP0.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (CID 45175347) is 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCSCC2)CN1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is UVEMIMBETKNZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c20-15-2-1-14(16(21)18-7-11-23-12-8-18)13-19(15)4-3-17-5-9-22-10-6-17/h14H,1-13H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 341.48 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 45175347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).