3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione

C19H22N4O4 — CID 170728983

IUPAC3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione
SMILESCN1CCN2c3cc4c(cc3OCC2C1)C(=O)N(C1CCC(=O)NC1=O)C4
InChIInChI=1S/C19H22N4O4/c1-21-4-5-22-12(9-21)10-27-16-7-13-11(6-15(16)22)8-23(19(13)26)14-2-3-17(24)20-18(14)25/h6-7,12,14H,2-5,8-10H2,1H3,(H,20,24,25)
InChIKeyMHTGSMBZJKXQBJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.04
Rot. Bonds1

About 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione

3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione (PubChem CID 170728983) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione
PubChem CID170728983
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione
SMILESCN1CCN2c3cc4c(cc3OCC2C1)C(=O)N(C1CCC(=O)NC1=O)C4
InChIInChI=1S/C19H22N4O4/c1-21-4-5-22-12(9-21)10-27-16-7-13-11(6-15(16)22)8-23(19(13)26)14-2-3-17(24)20-18(14)25/h6-7,12,14H,2-5,8-10H2,1H3,(H,20,24,25)
InChIKeyMHTGSMBZJKXQBJ-UHFFFAOYSA-N
XLogP-0.04
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione
CID 170927590
3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
tert-butyl 9-[[14-(6-methylidene-2-oxopiperidin-3-yl)-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-5-yl]methyl]-3-azaspiro[5.5]undecane-3-carboxylate
CID 170727170
(3S)-3-[(3R)-3-(hydroxymethyl)-6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione
CID 170927559
3-(8-oxo-2,3,4,6-tetrahydropyrrolo[3,4-g][1,4]benzoxazin-7-yl)piperidine-2,6-dione
CID 156805959
3-[(7S)-5-[[1-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl]piperidine-2,6-dione
CID 170728360
[5-[4-[[14-(2,6-dioxopiperidin-3-yl)-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-5-yl]methyl]piperidin-1-yl]-3-fluoro-2-methylphenyl] hypofluorite;2-methylsulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 170727529
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
(4S,6S)-4-amino-13-(2,6-dioxopiperidin-3-yl)-8-oxa-2,13-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,15-triene-12,14-dione
CID 170727247
(3R)-3-[6-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841487
(3S)-3-[(7S)-5-[[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octan-7-yl]methyl]-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl]piperidine-2,6-dione
CID 170727232
3-[6-(5-tert-butyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841417

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione (CID 170728983) is 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione is CN1CCN2c3cc4c(cc3OCC2C1)C(=O)N(C1CCC(=O)NC1=O)C4.
What is the InChIKey of 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione?
The InChIKey is MHTGSMBZJKXQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-4-5-22-12(9-21)10-27-16-7-13-11(6-15(16)22)8-23(19(13)26)14-2-3-17(24)20-18(14)25/h6-7,12,14H,2-5,8-10H2,1H3,(H,20,24,25).
What are the key properties of 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione?
3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione has a molecular weight of 370.41 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione is sourced from PubChem (CID 170728983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).