7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C17H24N4O4 — CID 72940773

IUPAC7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)Cc3cnc[nH]c3=O)C2)C1=O
InChIInChI=1S/C17H24N4O4/c1-25-8-7-20-5-2-3-17(16(20)24)4-6-21(11-17)14(22)9-13-10-18-12-19-15(13)23/h10,12H,2-9,11H2,1H3,(H,18,19,23)
InChIKeyJQLBDMDVBUHJAZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.20
Rot. Bonds5

About 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72940773) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72940773
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)Cc3cnc[nH]c3=O)C2)C1=O
InChIInChI=1S/C17H24N4O4/c1-25-8-7-20-5-2-3-17(16(20)24)4-6-21(11-17)14(22)9-13-10-18-12-19-15(13)23/h10,12H,2-9,11H2,1H3,(H,18,19,23)
InChIKeyJQLBDMDVBUHJAZ-UHFFFAOYSA-N
XLogP-0.20
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97128186
2-(6-Hydroxypyrimidin-4-YL)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 136249087
7-(2-Hydroxyethyl)-2-[(6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72860074
7-(2-Methoxyethyl)-2-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72868624
5-{2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 72879186
7-Cyclopentyl-2-[(6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72880084
7-(Cyclopropylmethyl)-2-[(6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72906879
(5R)-7-(2-hydroxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118687
(5S)-7-(2-hydroxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118688
(5R)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122850
(5S)-7-(2-methoxyethyl)-2-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122851
5-[2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 97127851

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72940773) is 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)Cc3cnc[nH]c3=O)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JQLBDMDVBUHJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-25-8-7-20-5-2-3-17(16(20)24)4-6-21(11-17)14(22)9-13-10-18-12-19-15(13)23/h10,12H,2-9,11H2,1H3,(H,18,19,23).
What are the key properties of 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72940773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).