2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C19H29N3O3 — CID 118744358

IUPAC2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(COC)N(Cc1ccccn1)C2
InChIInChI=1S/C19H29N3O3/c1-24-13-17-11-19(6-9-21(10-7-19)18(23)14-25-2)15-22(17)12-16-5-3-4-8-20-16/h3-5,8,17H,6-7,9-15H2,1-2H3
InChIKeyWWLVRCUUBJBFFF-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.56
Rot. Bonds6

About 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 118744358) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID118744358
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(COC)N(Cc1ccccn1)C2
InChIInChI=1S/C19H29N3O3/c1-24-13-17-11-19(6-9-21(10-7-19)18(23)14-25-2)15-22(17)12-16-5-3-4-8-20-16/h3-5,8,17H,6-7,9-15H2,1-2H3
InChIKeyWWLVRCUUBJBFFF-UHFFFAOYSA-N
XLogP1.56
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 118744358) is 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COCC(=O)N1CCC2(CC1)CC(COC)N(Cc1ccccn1)C2.
What is the InChIKey of 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is WWLVRCUUBJBFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-13-17-11-19(6-9-21(10-7-19)18(23)14-25-2)15-22(17)12-16-5-3-4-8-20-16/h3-5,8,17H,6-7,9-15H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 118744358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).