4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C18H19N3O4S — CID 118743385

IUPAC4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C(c1cccs1)N1CCOCC2(C1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C18H19N3O4S/c22-16-10-25-18(12-21(16)14-3-1-5-19-9-14)11-20(6-7-24-13-18)17(23)15-4-2-8-26-15/h1-5,8-9H,6-7,10-13H2
InChIKeyDSLMCVUVTKRNAR-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.42
Rot. Bonds2

About 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118743385) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118743385
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C(c1cccs1)N1CCOCC2(C1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C18H19N3O4S/c22-16-10-25-18(12-21(16)14-3-1-5-19-9-14)11-20(6-7-24-13-18)17(23)15-4-2-8-26-15/h1-5,8-9H,6-7,10-13H2
InChIKeyDSLMCVUVTKRNAR-UHFFFAOYSA-N
XLogP1.42
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118743385) is 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C(c1cccs1)N1CCOCC2(C1)CN(c1cccnc1)C(=O)CO2.
What is the InChIKey of 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is DSLMCVUVTKRNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-16-10-25-18(12-21(16)14-3-1-5-19-9-14)11-20(6-7-24-13-18)17(23)15-4-2-8-26-15/h1-5,8-9H,6-7,10-13H2.
What are the key properties of 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 373.43 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118743385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).