2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

C18H22N4O4 — CID 146040981

IUPAC2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCOc1ccccc1N1CC(C(=O)N2CC3(CNC(=O)N3C)C2)CC1=O
InChIInChI=1S/C18H22N4O4/c1-20-17(25)19-9-18(20)10-21(11-18)16(24)12-7-15(23)22(8-12)13-5-3-4-6-14(13)26-2/h3-6,12H,7-11H2,1-2H3,(H,19,25)
InChIKeyNBLLCJXDFUEXMH-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.28
Rot. Bonds3

About 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 146040981) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID146040981
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCOc1ccccc1N1CC(C(=O)N2CC3(CNC(=O)N3C)C2)CC1=O
InChIInChI=1S/C18H22N4O4/c1-20-17(25)19-9-18(20)10-21(11-18)16(24)12-7-15(23)22(8-12)13-5-3-4-6-14(13)26-2/h3-6,12H,7-11H2,1-2H3,(H,19,25)
InChIKeyNBLLCJXDFUEXMH-UHFFFAOYSA-N
XLogP0.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112790414
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
(3aS,6aR)-2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682565
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 49070823
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151
1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55949576

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 146040981) is 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is COc1ccccc1N1CC(C(=O)N2CC3(CNC(=O)N3C)C2)CC1=O.
What is the InChIKey of 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is NBLLCJXDFUEXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-20-17(25)19-9-18(20)10-21(11-18)16(24)12-7-15(23)22(8-12)13-5-3-4-6-14(13)26-2/h3-6,12H,7-11H2,1-2H3,(H,19,25).
What are the key properties of 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 358.40 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146040981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).