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

C22H36N6O4 — CID 13474243

IUPAC4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(CCN2CC(=O)N(CN3CCCCC3)C(=O)C2)CC(=O)N1CN1CCCCC1
InChIInChI=1S/C22H36N6O4/c29-19-13-25(14-20(30)27(19)17-23-7-3-1-4-8-23)11-12-26-15-21(31)28(22(32)16-26)18-24-9-5-2-6-10-24/h1-18H2
InChIKeyWSUFGFFCWSQGRB-UHFFFAOYSA-N
MW448.57 g/mol
LogP-0.79
Rot. Bonds7

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

4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione (PubChem CID 13474243) has the molecular formula C22H36N6O4 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
PubChem CID13474243
Molecular FormulaC22H36N6O4
Molecular Weight448.57 g/mol
Exact Mass448.28
IUPAC Name4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(CCN2CC(=O)N(CN3CCCCC3)C(=O)C2)CC(=O)N1CN1CCCCC1
InChIInChI=1S/C22H36N6O4/c29-19-13-25(14-20(30)27(19)17-23-7-3-1-4-8-23)11-12-26-15-21(31)28(22(32)16-26)18-24-9-5-2-6-10-24/h1-18H2
InChIKeyWSUFGFFCWSQGRB-UHFFFAOYSA-N
XLogP-0.79
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 5-0.79
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]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione (CID 13474243) is 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-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]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione is O=C1CN(CCN2CC(=O)N(CN3CCCCC3)C(=O)C2)CC(=O)N1CN1CCCCC1.
What is the InChIKey of 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
The InChIKey is WSUFGFFCWSQGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O4/c29-19-13-25(14-20(30)27(19)17-23-7-3-1-4-8-23)11-12-26-15-21(31)28(22(32)16-26)18-24-9-5-2-6-10-24/h1-18H2.
What are the key properties of 4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione?
4-[2-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione has a molecular weight of 448.57 g/mol, XLogP of -0.79, 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]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 13474243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).