5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one

C21H29N3O3 — CID 110814418

IUPAC5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(C)c(C)c(CC(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)c1C
InChIInChI=1S/C21H29N3O3/c1-13-11-14(2)16(4)17(15(13)3)12-20(26)23-7-9-24(10-8-23)21(27)18-5-6-19(25)22-18/h11,18H,5-10,12H2,1-4H3,(H,22,25)
InChIKeyYVGASSFUAUHQPL-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.41
Rot. Bonds3

About 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110814418) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110814418
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(C)c(C)c(CC(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)c1C
InChIInChI=1S/C21H29N3O3/c1-13-11-14(2)16(4)17(15(13)3)12-20(26)23-7-9-24(10-8-23)21(27)18-5-6-19(25)22-18/h11,18H,5-10,12H2,1-4H3,(H,22,25)
InChIKeyYVGASSFUAUHQPL-UHFFFAOYSA-N
XLogP1.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110768031
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110799961
1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 98019528
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804076
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
5-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808313
5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42908208
5-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110809733
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
N-ethyl-4-(5-oxopyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 146126018
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 110814418) is 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cc(C)c(C)c(CC(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)c1C.
What is the InChIKey of 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YVGASSFUAUHQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13-11-14(2)16(4)17(15(13)3)12-20(26)23-7-9-24(10-8-23)21(27)18-5-6-19(25)22-18/h11,18H,5-10,12H2,1-4H3,(H,22,25).
What are the key properties of 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110814418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).