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

C27H46N6O4 — CID 13474246

IUPAC1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
SMILESCC1CC(C)CN(CN2C(=O)CN(CC(C)N3CC(=O)N(CN4CC(C)CC(C)C4)C(=O)C3)CC2=O)C1
InChIInChI=1S/C27H46N6O4/c1-19-6-20(2)9-29(8-19)17-32-24(34)13-28(14-25(32)35)12-23(5)31-15-26(36)33(27(37)16-31)18-30-10-21(3)7-22(4)11-30/h19-23H,6-18H2,1-5H3
InChIKeyCKZFWKNNFGVESR-UHFFFAOYSA-N
MW518.70 g/mol
LogP0.59
Rot. Bonds7

About 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]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]propyl]piperazine-2,6-dione (PubChem CID 13474246) has the molecular formula C27H46N6O4 and a molecular weight of 518.70 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]propyl]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]propyl]piperazine-2,6-dione
PubChem CID13474246
Molecular FormulaC27H46N6O4
Molecular Weight518.70 g/mol
Exact Mass518.36
IUPAC Name1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
SMILESCC1CC(C)CN(CN2C(=O)CN(CC(C)N3CC(=O)N(CN4CC(C)CC(C)C4)C(=O)C3)CC2=O)C1
InChIInChI=1S/C27H46N6O4/c1-19-6-20(2)9-29(8-19)17-32-24(34)13-28(14-25(32)35)12-23(5)31-15-26(36)33(27(37)16-31)18-30-10-21(3)7-22(4)11-30/h19-23H,6-18H2,1-5H3
InChIKeyCKZFWKNNFGVESR-UHFFFAOYSA-N
XLogP0.59
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.70
LogP ≤ 50.59
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]propyl]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]propyl]piperazine-2,6-dione (CID 13474246) is 1-[(3,5-dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]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]propyl]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]propyl]piperazine-2,6-dione is CC1CC(C)CN(CN2C(=O)CN(CC(C)N3CC(=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]propyl]piperazine-2,6-dione?
The InChIKey is CKZFWKNNFGVESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N6O4/c1-19-6-20(2)9-29(8-19)17-32-24(34)13-28(14-25(32)35)12-23(5)31-15-26(36)33(27(37)16-31)18-30-10-21(3)7-22(4)11-30/h19-23H,6-18H2,1-5H3.
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]propyl]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]propyl]piperazine-2,6-dione has a molecular weight of 518.70 g/mol, XLogP of 0.59, 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]propyl]piperazine-2,6-dione is sourced from PubChem (CID 13474246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).