12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C19H27N3O2 — CID 118560889

IUPAC12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(CCc3ccccn3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-2-22-15-18(24-19(7-8-19)17(22)23)9-13-21(14-10-18)12-6-16-5-3-4-11-20-16/h3-5,11H,2,6-10,12-15H2,1H3
InChIKeySTLNLOYFCPCOIM-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.87
Rot. Bonds4

About 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 118560889) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID118560889
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(CCc3ccccn3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-2-22-15-18(24-19(7-8-19)17(22)23)9-13-21(14-10-18)12-6-16-5-3-4-11-20-16/h3-5,11H,2,6-10,12-15H2,1H3
InChIKeySTLNLOYFCPCOIM-UHFFFAOYSA-N
XLogP1.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 118560889) is 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CCN1CC2(CCN(CCc3ccccn3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is STLNLOYFCPCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-22-15-18(24-19(7-8-19)17(22)23)9-13-21(14-10-18)12-6-16-5-3-4-11-20-16/h3-5,11H,2,6-10,12-15H2,1H3.
What are the key properties of 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 329.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-(2-pyridin-2-ylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 118560889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).