1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione

C16H22N4O2 — CID 117487288

IUPAC1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
SMILESCN1CCN(c2ccccc2CN2CCNCC2)C(=O)C1=O
InChIInChI=1S/C16H22N4O2/c1-18-10-11-20(16(22)15(18)21)14-5-3-2-4-13(14)12-19-8-6-17-7-9-19/h2-5,17H,6-12H2,1H3
InChIKeyUNGFKEKGOGFDJC-UHFFFAOYSA-N
MW302.38 g/mol
LogP-0.10
Rot. Bonds3

About 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione

1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione (PubChem CID 117487288) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
PubChem CID117487288
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
SMILESCN1CCN(c2ccccc2CN2CCNCC2)C(=O)C1=O
InChIInChI=1S/C16H22N4O2/c1-18-10-11-20(16(22)15(18)21)14-5-3-2-4-13(14)12-19-8-6-17-7-9-19/h2-5,17H,6-12H2,1H3
InChIKeyUNGFKEKGOGFDJC-UHFFFAOYSA-N
XLogP-0.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117436099
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one
CID 117407731
1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione
CID 117487248
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoic acid
CID 117372986
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 117394580
1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360479
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
1-[2-(1-amino-2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117412521
1-methyl-4-[4-(piperidin-4-ylmethyl)phenyl]piperazine-2,3-dione
CID 117485669

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione (CID 117487288) is 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione is CN1CCN(c2ccccc2CN2CCNCC2)C(=O)C1=O.
What is the InChIKey of 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione?
The InChIKey is UNGFKEKGOGFDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18-10-11-20(16(22)15(18)21)14-5-3-2-4-13(14)12-19-8-6-17-7-9-19/h2-5,17H,6-12H2,1H3.
What are the key properties of 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione?
1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione has a molecular weight of 302.38 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione is sourced from PubChem (CID 117487288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).