1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione

C26H44N6O4 — CID 13474237

IUPAC1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
SMILESCC1CC(C)CN(CN2C(=O)CN(CCN3CC(=O)N(CN4CC(C)CC(C)C4)C(=O)C3)CC2=O)C1
InChIInChI=1S/C26H44N6O4/c1-19-7-20(2)10-29(9-19)17-31-23(33)13-27(14-24(31)34)5-6-28-15-25(35)32(26(36)16-28)18-30-11-21(3)8-22(4)12-30/h19-22H,5-18H2,1-4H3
InChIKeyPEONUWGABMVRSJ-UHFFFAOYSA-N
MW504.68 g/mol
LogP0.20
Rot. Bonds7

About 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione

1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione (PubChem CID 13474237) has the molecular formula C26H44N6O4 and a molecular weight of 504.68 g/mol. Its IUPAC name is 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
PubChem CID13474237
Molecular FormulaC26H44N6O4
Molecular Weight504.68 g/mol
Exact Mass504.34
IUPAC Name1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
SMILESCC1CC(C)CN(CN2C(=O)CN(CCN3CC(=O)N(CN4CC(C)CC(C)C4)C(=O)C3)CC2=O)C1
InChIInChI=1S/C26H44N6O4/c1-19-7-20(2)10-29(9-19)17-31-23(33)13-27(14-24(31)34)5-6-28-15-25(35)32(26(36)16-28)18-30-11-21(3)8-22(4)12-30/h19-22H,5-18H2,1-4H3
InChIKeyPEONUWGABMVRSJ-UHFFFAOYSA-N
XLogP0.20
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The IUPAC name of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione (CID 13474237) is 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The canonical SMILES for 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione is CC1CC(C)CN(CN2C(=O)CN(CCN3CC(=O)N(CN4CC(C)CC(C)C4)C(=O)C3)CC2=O)C1.
What is the InChIKey of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The InChIKey is PEONUWGABMVRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N6O4/c1-19-7-20(2)10-29(9-19)17-31-23(33)13-27(14-24(31)34)5-6-28-15-25(35)32(26(36)16-28)18-30-11-21(3)8-22(4)12-30/h19-22H,5-18H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione has a molecular weight of 504.68 g/mol, XLogP of 0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione is sourced from PubChem (CID 13474237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).