1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide

C22H31N3O3 — CID 55578932

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCOCC1
InChIInChI=1S/C22H31N3O3/c1-22(2,24-8-10-28-11-9-24)15-23-21(27)18-13-20(26)25(14-18)19-7-6-16-4-3-5-17(16)12-19/h6-7,12,18H,3-5,8-11,13-15H2,1-2H3,(H,23,27)
InChIKeyHMUPGMBSFNWJEE-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.76
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55578932) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55578932
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCOCC1
InChIInChI=1S/C22H31N3O3/c1-22(2,24-8-10-28-11-9-24)15-23-21(27)18-13-20(26)25(14-18)19-7-6-16-4-3-5-17(16)12-19/h6-7,12,18H,3-5,8-11,13-15H2,1-2H3,(H,23,27)
InChIKeyHMUPGMBSFNWJEE-UHFFFAOYSA-N
XLogP1.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55647597
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802767
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
CID 39481151
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
CID 39481150
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94333773
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 55578932) is 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(CNC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCOCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HMUPGMBSFNWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-22(2,24-8-10-28-11-9-24)15-23-21(27)18-13-20(26)25(14-18)19-7-6-16-4-3-5-17(16)12-19/h6-7,12,18H,3-5,8-11,13-15H2,1-2H3,(H,23,27).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55578932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).