3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione

C22H28N4O3 — CID 178005269

IUPAC3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
SMILESC=CC1=C(/C(=C\C)N2CC(N3CCC3)C2)C2(CC2)C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C22H28N4O3/c1-3-15(25-12-14(13-25)24-10-5-11-24)19-16(4-2)26(21(29)22(19)8-9-22)17-6-7-18(27)23-20(17)28/h3-4,14,17H,2,5-13H2,1H3,(H,23,27,28)/b15-3+
InChIKeyVVQBJCKQLCBZSP-CRKCGEKBSA-N
MW396.49 g/mol
LogP1.15
Rot. Bonds5

About 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione

3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione (PubChem CID 178005269) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
PubChem CID178005269
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
SMILESC=CC1=C(/C(=C\C)N2CC(N3CCC3)C2)C2(CC2)C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C22H28N4O3/c1-3-15(25-12-14(13-25)24-10-5-11-24)19-16(4-2)26(21(29)22(19)8-9-22)17-6-7-18(27)23-20(17)28/h3-4,14,17H,2,5-13H2,1H3,(H,23,27,28)/b15-3+
InChIKeyVVQBJCKQLCBZSP-CRKCGEKBSA-N
XLogP1.15
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione with MolForge

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Related Compounds

ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
CID 176987678
3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione
CID 155710587
3-(3-methylpiperidin-1-yl)piperidine-2,6-dione
CID 170639071
3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
CID 178005333
CID 178005333
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane
CID 178005412

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione (CID 178005269) is 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione is C=CC1=C(/C(=C\C)N2CC(N3CCC3)C2)C2(CC2)C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
The InChIKey is VVQBJCKQLCBZSP-CRKCGEKBSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-15(25-12-14(13-25)24-10-5-11-24)19-16(4-2)26(21(29)22(19)8-9-22)17-6-7-18(27)23-20(17)28/h3-4,14,17H,2,5-13H2,1H3,(H,23,27,28)/b15-3+.
What are the key properties of 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione has a molecular weight of 396.49 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 178005269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).