1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione

C15H19N3O2 — CID 117436069

IUPAC1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccccc2C2CCCN2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-14(19)9-18(10-15(17)20)13-7-3-2-5-11(13)12-6-4-8-16-12/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyIJNGXPDPFIRPFY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds2

About 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione

1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione (PubChem CID 117436069) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione
PubChem CID117436069
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccccc2C2CCCN2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-14(19)9-18(10-15(17)20)13-7-3-2-5-11(13)12-6-4-8-16-12/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyIJNGXPDPFIRPFY-UHFFFAOYSA-N
XLogP0.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365563
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
CID 117336460
1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
CID 117030800
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
1-methyl-4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117402552
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
(2S)-2-(2-methylsulfanylphenyl)piperidine
CID 7048099

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione?
The IUPAC name of 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione (CID 117436069) is 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione.
What is the SMILES notation for 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione?
The canonical SMILES for 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione is CN1C(=O)CN(c2ccccc2C2CCCN2)CC1=O.
What is the InChIKey of 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione?
The InChIKey is IJNGXPDPFIRPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-14(19)9-18(10-15(17)20)13-7-3-2-5-11(13)12-6-4-8-16-12/h2-3,5,7,12,16H,4,6,8-10H2,1H3.
What are the key properties of 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione?
1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione has a molecular weight of 273.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione is sourced from PubChem (CID 117436069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).