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

C22H38N8O6 — CID 13474240

IUPAC1-[[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
SMILESCN(CN1C(=O)CN(CCN2CC(=O)N(CN(C)N3CCOCC3)C(=O)C2)CC1=O)N1CCOCC1
InChIInChI=1S/C22H38N8O6/c1-23(27-5-9-35-10-6-27)17-29-19(31)13-25(14-20(29)32)3-4-26-15-21(33)30(22(34)16-26)18-24(2)28-7-11-36-12-8-28/h3-18H2,1-2H3
InChIKeyLKKSYLIMZVZYJN-UHFFFAOYSA-N
MW510.60 g/mol
LogP-3.40
Rot. Bonds9

About 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

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 (PubChem CID 13474240) has the molecular formula C22H38N8O6 and a molecular weight of 510.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID13474240
Molecular FormulaC22H38N8O6
Molecular Weight510.60 g/mol
Exact Mass510.29
IUPAC Name1-[[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
SMILESCN(CN1C(=O)CN(CCN2CC(=O)N(CN(C)N3CCOCC3)C(=O)C2)CC1=O)N1CCOCC1
InChIInChI=1S/C22H38N8O6/c1-23(27-5-9-35-10-6-27)17-29-19(31)13-25(14-20(29)32)3-4-26-15-21(33)30(22(34)16-26)18-24(2)28-7-11-36-12-8-28/h3-18H2,1-2H3
InChIKeyLKKSYLIMZVZYJN-UHFFFAOYSA-N
XLogP-3.40
TPSA112.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 5-3.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 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
2,6-Piperazindedione, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis(1-(4-morpholinylmethyl)-, (R*,S*)-
CID 3065413
1,2-Bis[4-(N-methylpiperazinomethyl)-3,5-dioxopiperazin-1-yl]-ethane
CID 13474239
1-(Morpholin-4-ylmethyl)-4-[3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
CID 13934478
1-(Morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butyl]piperazine-2,6-dione
CID 20144295
1-(Morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]pentyl]piperazine-2,6-dione
CID 20144310
4-(Morpholin-4-ylmethyl)-1-[2-[4-(morpholin-4-ylmethyl)-2,6-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
CID 139641398
[methyl(morpholin-4-ylmethyl)amino]-N-{2-[methyl(morpholin-4-ylmethyl)amino]-2-[N-(morpholin-4-ylmethyl)carbonylamino]ethyl}-N-(morpholin-4-ylmethyl)carboxa mide
CID 4168467
CID 21120558
CID 21120558
1-(morpholin-4-ylmethyl)-4-[(2S)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
CID 92855469
1-(morpholin-4-ylmethyl)-4-[(2R)-2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
CID 92855470

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CN1C(=O)CN(CCN2CC(=O)N(CN(C)N3CCOCC3)C(=O)C2)CC1=O)N1CCOCC1.
What is the InChIKey of 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?
The InChIKey is LKKSYLIMZVZYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N8O6/c1-23(27-5-9-35-10-6-27)17-29-19(31)13-25(14-20(29)32)3-4-26-15-21(33)30(22(34)16-26)18-24(2)28-7-11-36-12-8-28/h3-18H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 510.60 g/mol, XLogP of -3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 13474240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).