1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione

C22H26N2O4 — CID 3458596

IUPAC1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c25-21(22(26)24-10-14-28-15-11-24)19-7-6-18(16-17-4-2-1-3-5-17)20(19)23-8-12-27-13-9-23/h1-5,16H,6-15H2
InChIKeyNPMPIHGXVMLVHF-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.88
Rot. Bonds4

About 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione

1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 3458596) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID3458596
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c25-21(22(26)24-10-14-28-15-11-24)19-7-6-18(16-17-4-2-1-3-5-17)20(19)23-8-12-27-13-9-23/h1-5,16H,6-15H2
InChIKeyNPMPIHGXVMLVHF-UHFFFAOYSA-N
XLogP1.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
CID 5026808
(3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione
CID 2332901
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-bromobenzamide
CID 6899054
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019
bis[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-ethoxy-sulfanylidene-λ5-phosphane
CID 100992898
[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2314829
N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 84583005
(3E)-3-benzylidene-2-morpholin-4-yl-N-[(1S)-2,2,2-trichloro-1-[2-[(1R)-2,2,2-trichloro-1-[(4-methoxyphenyl)carbamoylamino]ethoxy]phenoxy]ethyl]cyclopentene-1-carboxamide
CID 99692139
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine
CID 23938920
N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883664
1-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-3-phenylthiourea
CID 7041326

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione (CID 3458596) is 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCOCC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1.
What is the InChIKey of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is NPMPIHGXVMLVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(22(26)24-10-14-28-15-11-24)19-7-6-18(16-17-4-2-1-3-5-17)20(19)23-8-12-27-13-9-23/h1-5,16H,6-15H2.
What are the key properties of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 382.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 3458596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).