N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide

C20H22N6O5 — CID 166426770

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide
SMILESCN1C(=O)NCC12CN(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C20H22N6O5/c1-24-18(30)21-8-20(24)9-25(10-20)19(31)22-12-2-3-13-11(6-12)7-26(17(13)29)14-4-5-15(27)23-16(14)28/h2-3,6,14H,4-5,7-10H2,1H3,(H,21,30)(H,22,31)(H,23,27,28)
InChIKeyNMASODFABLAVRH-UHFFFAOYSA-N
MW426.43 g/mol
LogP-0.31
Rot. Bonds2

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide (PubChem CID 166426770) has the molecular formula C20H22N6O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide
PubChem CID166426770
Molecular FormulaC20H22N6O5
Molecular Weight426.43 g/mol
Exact Mass426.17
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide
SMILESCN1C(=O)NCC12CN(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C20H22N6O5/c1-24-18(30)21-8-20(24)9-25(10-20)19(31)22-12-2-3-13-11(6-12)7-26(17(13)29)14-4-5-15(27)23-16(14)28/h2-3,6,14H,4-5,7-10H2,1H3,(H,21,30)(H,22,31)(H,23,27,28)
InChIKeyNMASODFABLAVRH-UHFFFAOYSA-N
XLogP-0.31
TPSA131.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
CID 176766864
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 176766722
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamoyl]-1,3,3-trimethylurea
CID 166426847
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylmorpholine-4-carboxamide
CID 166426751
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262
6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide
CID 175968608
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 176766826
(2R)-N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 175968705
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 176766770
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
3-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-pyrrole-2-carboxamide
CID 177187855

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide (CID 166426770) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide is CN1C(=O)NCC12CN(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)C2.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
The InChIKey is NMASODFABLAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5/c1-24-18(30)21-8-20(24)9-25(10-20)19(31)22-12-2-3-13-11(6-12)7-26(17(13)29)14-4-5-15(27)23-16(14)28/h2-3,6,14H,4-5,7-10H2,1H3,(H,21,30)(H,22,31)(H,23,27,28).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide has a molecular weight of 426.43 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 166426770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).