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

C14H19N3O2 — CID 115379421

IUPAC1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-12-14(19)17(9-13(18)15-12)11-7-5-6-10(8-11)16(2)3/h5-8,12H,4,9H2,1-3H3,(H,15,18)
InChIKeyKLJBFGXBFMLTAL-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.99
Rot. Bonds3

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

1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione (PubChem CID 115379421) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
PubChem CID115379421
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-12-14(19)17(9-13(18)15-12)11-7-5-6-10(8-11)16(2)3/h5-8,12H,4,9H2,1-3H3,(H,15,18)
InChIKeyKLJBFGXBFMLTAL-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione
CID 113297934
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione
CID 64957687
1-(1,3-benzodioxol-5-yl)-3-ethylpiperazine-2,5-dione
CID 64959422
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956470
1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
CID 64962337
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956077
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
3-ethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959856
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
CID 64969744
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione (CID 115379421) is 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione is CCC1NC(=O)CN(c2cccc(N(C)C)c2)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione?
The InChIKey is KLJBFGXBFMLTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-12-14(19)17(9-13(18)15-12)11-7-5-6-10(8-11)16(2)3/h5-8,12H,4,9H2,1-3H3,(H,15,18).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione?
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 0.99, 3 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-ethylpiperazine-2,5-dione is sourced from PubChem (CID 115379421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).