(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

C18H18N4O5 — CID 170727247

IUPAC(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
SMILESN[C@H]1C[C@H]2COc3cc4c(cc3N2C1)C(=O)N(C1CCC(=O)NC1=O)C4=O
InChIInChI=1S/C18H18N4O5/c19-8-3-9-7-27-14-5-11-10(4-13(14)21(9)6-8)17(25)22(18(11)26)12-1-2-15(23)20-16(12)24/h4-5,8-9,12H,1-3,6-7,19H2,(H,20,23,24)/t8-,9-,12?/m0/s1
InChIKeyUKEZTYMPAKUOFL-VTGJNACWSA-N
MW370.37 g/mol
LogP-0.61
Rot. Bonds1

About (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

(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 (PubChem CID 170727247) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170727247
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name(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
SMILESN[C@H]1C[C@H]2COc3cc4c(cc3N2C1)C(=O)N(C1CCC(=O)NC1=O)C4=O
InChIInChI=1S/C18H18N4O5/c19-8-3-9-7-27-14-5-11-10(4-13(14)21(9)6-8)17(25)22(18(11)26)12-1-2-15(23)20-16(12)24/h4-5,8-9,12H,1-3,6-7,19H2,(H,20,23,24)/t8-,9-,12?/m0/s1
InChIKeyUKEZTYMPAKUOFL-VTGJNACWSA-N
XLogP-0.61
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

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7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
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2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
5-[[(3S,5S)-3-amino-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740368
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
6-chloro-2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905642
5-(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 176841530

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@H]1C[C@H]2COc3cc4c(cc3N2C1)C(=O)N(C1CCC(=O)NC1=O)C4=O.
What is the InChIKey of (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?
The InChIKey is UKEZTYMPAKUOFL-VTGJNACWSA-N. The full InChI is InChI=1S/C18H18N4O5/c19-8-3-9-7-27-14-5-11-10(4-13(14)21(9)6-8)17(25)22(18(11)26)12-1-2-15(23)20-16(12)24/h4-5,8-9,12H,1-3,6-7,19H2,(H,20,23,24)/t8-,9-,12?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 370.37 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170727247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).