1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione

C21H34N6O6 — CID 92855469

IUPAC1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
SMILESC[C@@H](CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1
InChIInChI=1S/C21H34N6O6/c1-17(25-13-20(30)27(21(31)14-25)16-23-4-8-33-9-5-23)10-24-11-18(28)26(19(29)12-24)15-22-2-6-32-7-3-22/h17H,2-16H2,1H3/t17-/m0/s1
InChIKeyMAUYWACILHVRLR-KRWDZBQOSA-N
MW466.54 g/mol
LogP-2.70
Rot. Bonds7

About 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione

1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione (PubChem CID 92855469) has the molecular formula C21H34N6O6 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
PubChem CID92855469
Molecular FormulaC21H34N6O6
Molecular Weight466.54 g/mol
Exact Mass466.25
IUPAC Name1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
SMILESC[C@@H](CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1
InChIInChI=1S/C21H34N6O6/c1-17(25-13-20(30)27(21(31)14-25)16-23-4-8-33-9-5-23)10-24-11-18(28)26(19(29)12-24)15-22-2-6-32-7-3-22/h17H,2-16H2,1H3/t17-/m0/s1
InChIKeyMAUYWACILHVRLR-KRWDZBQOSA-N
XLogP-2.70
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
The IUPAC name of 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione (CID 92855469) is 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
The canonical SMILES for 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione is C[C@@H](CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
The InChIKey is MAUYWACILHVRLR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H34N6O6/c1-17(25-13-20(30)27(21(31)14-25)16-23-4-8-33-9-5-23)10-24-11-18(28)26(19(29)12-24)15-22-2-6-32-7-3-22/h17H,2-16H2,1H3/t17-/m0/s1.
What are the key properties of 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione has a molecular weight of 466.54 g/mol, XLogP of -2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione is sourced from PubChem (CID 92855469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).