1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H28N4O4 — CID 108741159

IUPAC1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1=O
InChIInChI=1S/C20H28N4O4/c1-22-7-9-23(10-8-22)20(27)15-3-5-17(6-4-15)21-19(26)16-13-18(25)24(14-16)11-12-28-2/h3-6,16H,7-14H2,1-2H3,(H,21,26)
InChIKeyAGKINMOCAYZUSR-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.51
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108741159) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108741159
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1=O
InChIInChI=1S/C20H28N4O4/c1-22-7-9-23(10-8-22)20(27)15-3-5-17(6-4-15)21-19(26)16-13-18(25)24(14-16)11-12-28-2/h3-6,16H,7-14H2,1-2H3,(H,21,26)
InChIKeyAGKINMOCAYZUSR-UHFFFAOYSA-N
XLogP0.51
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
N-(4-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182588
1-(2-methoxyethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108730979
1-(4-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108800138
ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate
CID 17153490
methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610
1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153454
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153589
1-butyl-N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153436

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 108741159) is 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGKINMOCAYZUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-22-7-9-23(10-8-22)20(27)15-3-5-17(6-4-15)21-19(26)16-13-18(25)24(14-16)11-12-28-2/h3-6,16H,7-14H2,1-2H3,(H,21,26).
What are the key properties of 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108741159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).