4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione

C23H38N6O4 — CID 13474250

IUPAC4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
SMILESCC(CN1CC(=O)N(CN2CCCCC2)C(=O)C1)N1CC(=O)N(CN2CCCCC2)C(=O)C1
InChIInChI=1S/C23H38N6O4/c1-19(27-15-22(32)29(23(33)16-27)18-25-10-6-3-7-11-25)12-26-13-20(30)28(21(31)14-26)17-24-8-4-2-5-9-24/h19H,2-18H2,1H3
InChIKeyQLWFOFNTHFUMNT-UHFFFAOYSA-N
MW462.60 g/mol
LogP-0.40
Rot. Bonds7

About 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione

4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione (PubChem CID 13474250) has the molecular formula C23H38N6O4 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
PubChem CID13474250
Molecular FormulaC23H38N6O4
Molecular Weight462.60 g/mol
Exact Mass462.30
IUPAC Name4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
SMILESCC(CN1CC(=O)N(CN2CCCCC2)C(=O)C1)N1CC(=O)N(CN2CCCCC2)C(=O)C1
InChIInChI=1S/C23H38N6O4/c1-19(27-15-22(32)29(23(33)16-27)18-25-10-6-3-7-11-25)12-26-13-20(30)28(21(31)14-26)17-24-8-4-2-5-9-24/h19H,2-18H2,1H3
InChIKeyQLWFOFNTHFUMNT-UHFFFAOYSA-N
XLogP-0.40
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 5-0.40
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 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione (CID 13474250) is 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione is CC(CN1CC(=O)N(CN2CCCCC2)C(=O)C1)N1CC(=O)N(CN2CCCCC2)C(=O)C1.
What is the InChIKey of 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
The InChIKey is QLWFOFNTHFUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O4/c1-19(27-15-22(32)29(23(33)16-27)18-25-10-6-3-7-11-25)12-26-13-20(30)28(21(31)14-26)17-24-8-4-2-5-9-24/h19H,2-18H2,1H3.
What are the key properties of 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione has a molecular weight of 462.60 g/mol, XLogP of -0.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 13474250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).