4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione

C14H19N3O2 — CID 82346643

IUPAC4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)C(C)N1c1ccc(N(C)C)cc1
InChIInChI=1S/C14H19N3O2/c1-9-13(18)15-14(19)10(2)17(9)12-7-5-11(6-8-12)16(3)4/h5-10H,1-4H3,(H,15,18,19)
InChIKeyPQHHQPONVQSWPW-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.99
Rot. Bonds2

About 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione

4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione (PubChem CID 82346643) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione
PubChem CID82346643
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)C(C)N1c1ccc(N(C)C)cc1
InChIInChI=1S/C14H19N3O2/c1-9-13(18)15-14(19)10(2)17(9)12-7-5-11(6-8-12)16(3)4/h5-10H,1-4H3,(H,15,18,19)
InChIKeyPQHHQPONVQSWPW-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-4-(4-pyrrolidin-1-ylphenyl)piperazine-2,6-dione
CID 82346642
1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 46894310
1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione
CID 43617215
(3R,3aS,6aR)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27858607
(3S,3aS,6aS)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7101344
1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
CID 64960932
1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
CID 64955126
2-[4-(dimethylamino)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2865708
CID 101239700
CID 101239700
(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7131673
1-[4-(dimethylamino)phenyl]pyrrolidine-2,4-dione
CID 79516096
(5Z)-1-(4-bromophenyl)-5-[[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1255893

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione (CID 82346643) is 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione is CC1C(=O)NC(=O)C(C)N1c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione?
The InChIKey is PQHHQPONVQSWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-13(18)15-14(19)10(2)17(9)12-7-5-11(6-8-12)16(3)4/h5-10H,1-4H3,(H,15,18,19).
What are the key properties of 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione?
4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione has a molecular weight of 261.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 82346643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).