2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C16H21N3O3 — CID 70648268

IUPAC2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCNCC2)CN1Cc1cc2c(cn1)OCCO2
InChIInChI=1S/C16H21N3O3/c20-15-8-16(1-3-17-4-2-16)11-19(15)10-12-7-13-14(9-18-12)22-6-5-21-13/h7,9,17H,1-6,8,10-11H2
InChIKeyIXFZQYGREHYEMB-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.95
Rot. Bonds2

About 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70648268) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70648268
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCNCC2)CN1Cc1cc2c(cn1)OCCO2
InChIInChI=1S/C16H21N3O3/c20-15-8-16(1-3-17-4-2-16)11-19(15)10-12-7-13-14(9-18-12)22-6-5-21-13/h7,9,17H,1-6,8,10-11H2
InChIKeyIXFZQYGREHYEMB-UHFFFAOYSA-N
XLogP0.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70648268) is 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCNCC2)CN1Cc1cc2c(cn1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is IXFZQYGREHYEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-8-16(1-3-17-4-2-16)11-19(15)10-12-7-13-14(9-18-12)22-6-5-21-13/h7,9,17H,1-6,8,10-11H2.
What are the key properties of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 303.36 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70648268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).