3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione

C15H25N3O2 — CID 177057043

IUPAC3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCC(C3CCNCC3)CC2)C(=O)N1
InChIInChI=1S/C15H25N3O2/c19-14-2-1-13(15(20)17-14)18-9-5-12(6-10-18)11-3-7-16-8-4-11/h11-13,16H,1-10H2,(H,17,19,20)
InChIKeyKGZXLBWYTPOTJC-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.50
Rot. Bonds2

About 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione

3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione (PubChem CID 177057043) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
PubChem CID177057043
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCC(C3CCNCC3)CC2)C(=O)N1
InChIInChI=1S/C15H25N3O2/c19-14-2-1-13(15(20)17-14)18-9-5-12(6-10-18)11-3-7-16-8-4-11/h11-13,16H,1-10H2,(H,17,19,20)
InChIKeyKGZXLBWYTPOTJC-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
CID 159200633
3-[3-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171491722
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
3-(3-methylpiperidin-1-yl)piperidine-2,6-dione
CID 170639071
3-piperidin-4-ylpyrrolidine-2,5-dione
CID 173255844
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-[3-oxo-7-[(3-piperidin-4-ylpyrrolidin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723587
3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione
CID 134580084
2-(2,6-dioxopiperidin-3-yl)-5-[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenyl]isoindole-1,3-dione
CID 175660278
4-[[4-(azepan-4-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741203
3-[5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 159474291

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione (CID 177057043) is 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione is O=C1CCC(N2CCC(C3CCNCC3)CC2)C(=O)N1.
What is the InChIKey of 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione?
The InChIKey is KGZXLBWYTPOTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-14-2-1-13(15(20)17-14)18-9-5-12(6-10-18)11-3-7-16-8-4-11/h11-13,16H,1-10H2,(H,17,19,20).
What are the key properties of 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione?
3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione has a molecular weight of 279.38 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 177057043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).