1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one

C17H25N5O4S — CID 20958251

IUPAC1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
SMILESCN(CC(=O)N1CCC2(CC1)OCCO2)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H25N5O4S/c1-20(15-18-19-16(27-15)22-7-3-2-4-13(22)23)12-14(24)21-8-5-17(6-9-21)25-10-11-26-17/h2-12H2,1H3
InChIKeyUXGGFIUNYSEGCG-UHFFFAOYSA-N
MW395.49 g/mol
LogP0.86
Rot. Bonds4

About 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one

1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one (PubChem CID 20958251) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
PubChem CID20958251
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
SMILESCN(CC(=O)N1CCC2(CC1)OCCO2)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H25N5O4S/c1-20(15-18-19-16(27-15)22-7-3-2-4-13(22)23)12-14(24)21-8-5-17(6-9-21)25-10-11-26-17/h2-12H2,1H3
InChIKeyUXGGFIUNYSEGCG-UHFFFAOYSA-N
XLogP0.86
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
The IUPAC name of 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one (CID 20958251) is 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
The canonical SMILES for 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one is CN(CC(=O)N1CCC2(CC1)OCCO2)c1nnc(N2CCCCC2=O)s1.
What is the InChIKey of 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
The InChIKey is UXGGFIUNYSEGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-20(15-18-19-16(27-15)22-7-3-2-4-13(22)23)12-14(24)21-8-5-17(6-9-21)25-10-11-26-17/h2-12H2,1H3.
What are the key properties of 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one has a molecular weight of 395.49 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]piperidin-2-one is sourced from PubChem (CID 20958251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).