9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

C16H22N4O4 — CID 162633347

IUPAC9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(Cn1cccnc1=O)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C16H22N4O4/c21-11-10-18-7-1-4-16(14(18)23)5-2-9-20(16)13(22)12-19-8-3-6-17-15(19)24/h3,6,8,21H,1-2,4-5,7,9-12H2
InChIKeyNIJGJKWTVBDENW-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.78
Rot. Bonds4

About 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162633347) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162633347
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(Cn1cccnc1=O)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C16H22N4O4/c21-11-10-18-7-1-4-16(14(18)23)5-2-9-20(16)13(22)12-19-8-3-6-17-15(19)24/h3,6,8,21H,1-2,4-5,7,9-12H2
InChIKeyNIJGJKWTVBDENW-UHFFFAOYSA-N
XLogP-0.78
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636600
9-(2-hydroxyethyl)-1-[2-(4-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019736
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633197
9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633260
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
1-[2-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-oxoethyl]pyrimidin-2-one
CID 135105437
1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163311205
formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 166598201
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 80717220

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162633347) is 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is O=C(Cn1cccnc1=O)N1CCCC12CCCN(CCO)C2=O.
What is the InChIKey of 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NIJGJKWTVBDENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-11-10-18-7-1-4-16(14(18)23)5-2-9-20(16)13(22)12-19-8-3-6-17-15(19)24/h3,6,8,21H,1-2,4-5,7,9-12H2.
What are the key properties of 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 334.38 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162633347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).