3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione

C16H22N4O2 — CID 146573351

IUPAC3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione
SMILESCN1CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C16H22N4O2/c1-19-8-10-20(11-9-19)13-4-2-12(3-5-13)17-14-6-7-15(21)18-16(14)22/h2-5,14,17H,6-11H2,1H3,(H,18,21,22)
InChIKeyGRQMMULSBXXEST-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.66
Rot. Bonds3

About 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione

3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione (PubChem CID 146573351) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione
PubChem CID146573351
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione
SMILESCN1CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C16H22N4O2/c1-19-8-10-20(11-9-19)13-4-2-12(3-5-13)17-14-6-7-15(21)18-16(14)22/h2-5,14,17H,6-11H2,1H3,(H,18,21,22)
InChIKeyGRQMMULSBXXEST-UHFFFAOYSA-N
XLogP0.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione (CID 146573351) is 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione is CN1CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione?
The InChIKey is GRQMMULSBXXEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-8-10-20(11-9-19)13-4-2-12(3-5-13)17-14-6-7-15(21)18-16(14)22/h2-5,14,17H,6-11H2,1H3,(H,18,21,22).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione?
3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione has a molecular weight of 302.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 146573351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).