1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone

C14H20N4O — CID 3232641

IUPAC1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H20N4O/c1-12(19)17-8-2-4-14(10-17)5-9-18(11-14)13-15-6-3-7-16-13/h3,6-7H,2,4-5,8-11H2,1H3/t14-/m1/s1
InChIKeyINWRQDURSXJIMG-CQSZACIVSA-N
MW260.34 g/mol
LogP1.32
Rot. Bonds1

About 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone

1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone (PubChem CID 3232641) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
PubChem CID3232641
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H20N4O/c1-12(19)17-8-2-4-14(10-17)5-9-18(11-14)13-15-6-3-7-16-13/h3,6-7H,2,4-5,8-11H2,1H3/t14-/m1/s1
InChIKeyINWRQDURSXJIMG-CQSZACIVSA-N
XLogP1.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone (CID 3232641) is 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone is CC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is INWRQDURSXJIMG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12(19)17-8-2-4-14(10-17)5-9-18(11-14)13-15-6-3-7-16-13/h3,6-7H,2,4-5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 3232641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).