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

C17H26N4O3 — CID 118743459

IUPAC2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(COC)N(c1ncccn1)C2
InChIInChI=1S/C17H26N4O3/c1-23-11-14-10-17(13-21(14)16-18-6-3-7-19-16)4-8-20(9-5-17)15(22)12-24-2/h3,6-7,14H,4-5,8-13H2,1-2H3
InChIKeyINGJBBSUTXKMGH-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.96
Rot. Bonds5

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

2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 118743459) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID118743459
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(COC)N(c1ncccn1)C2
InChIInChI=1S/C17H26N4O3/c1-23-11-14-10-17(13-21(14)16-18-6-3-7-19-16)4-8-20(9-5-17)15(22)12-24-2/h3,6-7,14H,4-5,8-13H2,1-2H3
InChIKeyINGJBBSUTXKMGH-UHFFFAOYSA-N
XLogP0.96
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 118743459) is 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COCC(=O)N1CCC2(CC1)CC(COC)N(c1ncccn1)C2.
What is the InChIKey of 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is INGJBBSUTXKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-23-11-14-10-17(13-21(14)16-18-6-3-7-19-16)4-8-20(9-5-17)15(22)12-24-2/h3,6-7,14H,4-5,8-13H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 118743459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).