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

C22H36N6O6 — CID 3065413

IUPAC1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
SMILESC[C@H]([C@H](C)N1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1
InChIInChI=1S/C22H36N6O6/c1-17(25-11-19(29)27(20(30)12-25)15-23-3-7-33-8-4-23)18(2)26-13-21(31)28(22(32)14-26)16-24-5-9-34-10-6-24/h17-18H,3-16H2,1-2H3/t17-,18+
InChIKeyRVIJLLSJRPDBHS-HDICACEKSA-N
MW480.57 g/mol
LogP-2.32
Rot. Bonds7

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

1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione (PubChem CID 3065413) has the molecular formula C22H36N6O6 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
PubChem CID3065413
Molecular FormulaC22H36N6O6
Molecular Weight480.57 g/mol
Exact Mass480.27
IUPAC Name1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
SMILESC[C@H]([C@H](C)N1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1
InChIInChI=1S/C22H36N6O6/c1-17(25-11-19(29)27(20(30)12-25)15-23-3-7-33-8-4-23)18(2)26-13-21(31)28(22(32)14-26)16-24-5-9-34-10-6-24/h17-18H,3-16H2,1-2H3/t17-,18+
InChIKeyRVIJLLSJRPDBHS-HDICACEKSA-N
XLogP-2.32
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione with MolForge

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Related Compounds

Bimolane
CID 100708
4,4'-(1-Methyl-1,2-ethanediyl)bis(1-(4-morpholinylmethyl)-2,6-piperazinedione)
CID 125610
(3S,10R)-5,12-bis(morpholin-4-ylmethyl)-1,5,8,12-tetrazatricyclo[8.4.0.03,8]tetradecane-4,6,11,13-tetrone
CID 13526555
(3R,10R)-5,12-bis(morpholin-4-ylmethyl)-1,5,8,12-tetrazatricyclo[8.4.0.03,8]tetradecane-4,6,11,13-tetrone
CID 13526556
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522
1-[[Methyl(morpholin-4-yl)amino]methyl]-4-[2-[4-[[methyl(morpholin-4-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
CID 13474240
1,2-Bis[4-(N-methylpiperazinomethyl)-3,5-dioxopiperazin-1-yl]-propane
CID 13474249
4-[2-[3,5-Dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
CID 13474250
1-(Morpholin-4-ylmethyl)-4-[3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
CID 13934478
4-[3-[3,5-Dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]butan-2-yl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
CID 13934479
4-[(2S,3R)-3-[3,5-dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]butan-2-yl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
CID 13934480
1-(4-Morpholinomethyl-3,5-dioxopiperazin-1-yl)-2-(3,5-dioxopiperazin-1-yl)-propane
CID 14100461

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?
The IUPAC name of 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione (CID 3065413) is 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?
The canonical SMILES for 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione is C[C@H]([C@H](C)N1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?
The InChIKey is RVIJLLSJRPDBHS-HDICACEKSA-N. The full InChI is InChI=1S/C22H36N6O6/c1-17(25-11-19(29)27(20(30)12-25)15-23-3-7-33-8-4-23)18(2)26-13-21(31)28(22(32)14-26)16-24-5-9-34-10-6-24/h17-18H,3-16H2,1-2H3/t17-,18+.
What are the key properties of 1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?
1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione has a molecular weight of 480.57 g/mol, XLogP of -2.32, 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,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 3065413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).