1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione

C13H17N3O2 — CID 113297934

IUPAC1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C13H17N3O2/c1-9-13(18)16(8-12(17)14-9)11-6-4-5-10(7-11)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKeyXOEIKYGTLCOMBR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.60
Rot. Bonds2

About 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione

1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione (PubChem CID 113297934) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione
PubChem CID113297934
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C13H17N3O2/c1-9-13(18)16(8-12(17)14-9)11-6-4-5-10(7-11)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKeyXOEIKYGTLCOMBR-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
CID 115379175
3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
CID 64970576
1-(3-ethylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959166
1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
CID 115379106
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64881311
3-tert-butyl-1-(3-methylsulfanylphenyl)piperazine-2,5-dione
CID 64961811
1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione
CID 64970237
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione (CID 113297934) is 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(c2cccc(N(C)C)c2)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione?
The InChIKey is XOEIKYGTLCOMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-13(18)16(8-12(17)14-9)11-6-4-5-10(7-11)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,17).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione?
1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 113297934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).