3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione

C19H32N6O4 — CID 159200633

IUPAC3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
SMILESCN1CCN(C2CCC(=O)NC2=O)CC1.O=C1CCC(N2CCNCC2)C(=O)N1
InChIInChI=1S/C10H17N3O2.C9H15N3O2/c1-12-4-6-13(7-5-12)8-2-3-9(14)11-10(8)15;13-8-2-1-7(9(14)11-8)12-5-3-10-4-6-12/h8H,2-7H2,1H3,(H,11,14,15);7,10H,1-6H2,(H,11,13,14)
InChIKeyKPFXDWFWWAECJE-UHFFFAOYSA-N
MW408.50 g/mol
LogP-2.26
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione

3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione (PubChem CID 159200633) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
PubChem CID159200633
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC Name3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
SMILESCN1CCN(C2CCC(=O)NC2=O)CC1.O=C1CCC(N2CCNCC2)C(=O)N1
InChIInChI=1S/C10H17N3O2.C9H15N3O2/c1-12-4-6-13(7-5-12)8-2-3-9(14)11-10(8)15;13-8-2-1-7(9(14)11-8)12-5-3-10-4-6-12/h8H,2-7H2,1H3,(H,11,14,15);7,10H,1-6H2,(H,11,13,14)
InChIKeyKPFXDWFWWAECJE-UHFFFAOYSA-N
XLogP-2.26
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
CID 177057043
3-(3-methylpiperidin-1-yl)piperidine-2,6-dione
CID 170639071
3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione
CID 154688358
(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide
CID 174087375
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylazetidin-1-yl)isoindole-1,3-dione;ethane
CID 156709609
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-[4-(4-piperazin-1-ylbutylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 154639394
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 167470171

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione?
The IUPAC name of 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione (CID 159200633) is 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione is CN1CCN(C2CCC(=O)NC2=O)CC1.O=C1CCC(N2CCNCC2)C(=O)N1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione?
The InChIKey is KPFXDWFWWAECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.C9H15N3O2/c1-12-4-6-13(7-5-12)8-2-3-9(14)11-10(8)15;13-8-2-1-7(9(14)11-8)12-5-3-10-4-6-12/h8H,2-7H2,1H3,(H,11,14,15);7,10H,1-6H2,(H,11,13,14).
What are the key properties of 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione?
3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione has a molecular weight of 408.50 g/mol, XLogP of -2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione is sourced from PubChem (CID 159200633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).