2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

C21H26N4O3 — CID 70733639

IUPAC2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cnc(N2CCC3(CC2)CC(=O)N(Cc2cccc(OC)c2)C3)nc1
InChIInChI=1S/C21H26N4O3/c1-27-17-5-3-4-16(10-17)14-25-15-21(11-19(25)26)6-8-24(9-7-21)20-22-12-18(28-2)13-23-20/h3-5,10,12-13H,6-9,11,14-15H2,1-2H3
InChIKeyAWDZXWSRDBSNOR-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.51
Rot. Bonds5

About 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70733639) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70733639
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cnc(N2CCC3(CC2)CC(=O)N(Cc2cccc(OC)c2)C3)nc1
InChIInChI=1S/C21H26N4O3/c1-27-17-5-3-4-16(10-17)14-25-15-21(11-19(25)26)6-8-24(9-7-21)20-22-12-18(28-2)13-23-20/h3-5,10,12-13H,6-9,11,14-15H2,1-2H3
InChIKeyAWDZXWSRDBSNOR-UHFFFAOYSA-N
XLogP2.51
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70769440
2-[(3-methoxyphenyl)methyl]-8-[2-(1,2,4-triazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70765765
(6S)-8-(5-methoxypyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95884972
2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97282409
4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
CID 157019296
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896327
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 70733639) is 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one is COc1cnc(N2CCC3(CC2)CC(=O)N(Cc2cccc(OC)c2)C3)nc1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AWDZXWSRDBSNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-17-5-3-4-16(10-17)14-25-15-21(11-19(25)26)6-8-24(9-7-21)20-22-12-18(28-2)13-23-20/h3-5,10,12-13H,6-9,11,14-15H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 382.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70733639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).