1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide

C22H33N3O4 — CID 55647597

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(C)(C)N3CCCCC3)CC2=O)cc1OC
InChIInChI=1S/C22H33N3O4/c1-22(2,24-10-6-5-7-11-24)15-23-21(27)16-12-20(26)25(14-16)17-8-9-18(28-3)19(13-17)29-4/h8-9,13,16H,5-7,10-12,14-15H2,1-4H3,(H,23,27)
InChIKeyRJWMARMAYWDSPQ-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.44
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55647597) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55647597
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(C)(C)N3CCCCC3)CC2=O)cc1OC
InChIInChI=1S/C22H33N3O4/c1-22(2,24-10-6-5-7-11-24)15-23-21(27)16-12-20(26)25(14-16)17-8-9-18(28-3)19(13-17)29-4/h8-9,13,16H,5-7,10-12,14-15H2,1-4H3,(H,23,27)
InChIKeyRJWMARMAYWDSPQ-UHFFFAOYSA-N
XLogP2.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533
1-(3,4-dimethoxyphenyl)-N-(4,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110421719
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46433351
N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110630800
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55586929
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55578932
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55358524
3-[[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125148351
1-(2-ethylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55335688
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42949200
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 55647597) is 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCC(C)(C)N3CCCCC3)CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RJWMARMAYWDSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-22(2,24-10-6-5-7-11-24)15-23-21(27)16-12-20(26)25(14-16)17-8-9-18(28-3)19(13-17)29-4/h8-9,13,16H,5-7,10-12,14-15H2,1-4H3,(H,23,27).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55647597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).