2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

C16H24N4O2 — CID 3235149

IUPAC2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C16H24N4O2/c1-22-13-14(21)19-9-3-16(4-10-19)5-11-20(12-6-16)15-17-7-2-8-18-15/h2,7-8H,3-6,9-13H2,1H3
InChIKeyNGFHNCHWJMYGSE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.33
Rot. Bonds3

About 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (PubChem CID 3235149) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
PubChem CID3235149
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C16H24N4O2/c1-22-13-14(21)19-9-3-16(4-10-19)5-11-20(12-6-16)15-17-7-2-8-18-15/h2,7-8H,3-6,9-13H2,1H3
InChIKeyNGFHNCHWJMYGSE-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The IUPAC name of 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (CID 3235149) is 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is COCC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2.
What is the InChIKey of 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The InChIKey is NGFHNCHWJMYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-22-13-14(21)19-9-3-16(4-10-19)5-11-20(12-6-16)15-17-7-2-8-18-15/h2,7-8H,3-6,9-13H2,1H3.
What are the key properties of 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is sourced from PubChem (CID 3235149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).