N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide

C16H19N5O4 — CID 170727346

IUPACN-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3c(n2)OCC2CNCCN32)C(=O)N1
InChIInChI=1S/C16H19N5O4/c22-13-4-2-10(15(24)20-13)18-14(23)11-1-3-12-16(19-11)25-8-9-7-17-5-6-21(9)12/h1,3,9-10,17H,2,4-8H2,(H,18,23)(H,20,22,24)
InChIKeyFGWYTADCEDVOIX-UHFFFAOYSA-N
MW345.36 g/mol
LogP-1.21
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide

N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide (PubChem CID 170727346) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
PubChem CID170727346
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3c(n2)OCC2CNCCN32)C(=O)N1
InChIInChI=1S/C16H19N5O4/c22-13-4-2-10(15(24)20-13)18-14(23)11-1-3-12-16(19-11)25-8-9-7-17-5-6-21(9)12/h1,3,9-10,17H,2,4-8H2,(H,18,23)(H,20,22,24)
InChIKeyFGWYTADCEDVOIX-UHFFFAOYSA-N
XLogP-1.21
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylic acid
CID 170172308
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
(4aS)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine-8-carboxamide
CID 170727208
N-[(3S)-2,6-dioxopiperidin-3-yl]-12-[[(3R)-8-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 170728567
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
N-(2,6-dioxopiperidin-3-yl)-2-(6-piperazin-1-yl-2-pyridinyl)acetamide
CID 155218184
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide
CID 174087375
N-(2,6-dioxopiperidin-3-yl)-5-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 171786638
N-methyl-9-oxo-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 171471349
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728572

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide (CID 170727346) is N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide is O=C1CCC(NC(=O)c2ccc3c(n2)OCC2CNCCN32)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
The InChIKey is FGWYTADCEDVOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c22-13-4-2-10(15(24)20-13)18-14(23)11-1-3-12-16(19-11)25-8-9-7-17-5-6-21(9)12/h1,3,9-10,17H,2,4-8H2,(H,18,23)(H,20,22,24).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide is sourced from PubChem (CID 170727346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).