3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

C24H28N6O5 — CID 167982946

IUPAC3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)OC1CCCN(C(=O)c2cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn2)C1
InChIInChI=1S/C24H28N6O5/c1-14(2)35-17-4-3-9-28(12-17)24(34)19-13-30(27-26-19)16-6-5-15-11-29(23(33)18(15)10-16)20-7-8-21(31)25-22(20)32/h5-6,10,13-14,17,20H,3-4,7-9,11-12H2,1-2H3,(H,25,31,32)
InChIKeyLGHRQFHMNJXQJF-UHFFFAOYSA-N
MW480.53 g/mol
LogP1.06
Rot. Bonds5

About 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167982946) has the molecular formula C24H28N6O5 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167982946
Molecular FormulaC24H28N6O5
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC Name3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)OC1CCCN(C(=O)c2cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn2)C1
InChIInChI=1S/C24H28N6O5/c1-14(2)35-17-4-3-9-28(12-17)24(34)19-13-30(27-26-19)16-6-5-15-11-29(23(33)18(15)10-16)20-7-8-21(31)25-22(20)32/h5-6,10,13-14,17,20H,3-4,7-9,11-12H2,1-2H3,(H,25,31,32)
InChIKeyLGHRQFHMNJXQJF-UHFFFAOYSA-N
XLogP1.06
TPSA126.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[4-[7-(difluoromethyl)-1,4-oxazepane-4-carbonyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167803535
3-[5-[4-(7-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167836941
3-[3-oxo-5-[4-(3-pyrazin-2-ylpyrrolidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167952298
3-[3-oxo-5-[4-(7-oxo-6,9-diazaspiro[4.5]decane-9-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167936051
3-[3-oxo-5-[4-(3-oxo-5,7-dihydro-2H-pyrrolo[3,4-c]pyridazine-6-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167846726
3-[5-[4-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167783310
3-[5-[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167747376
3-[5-[4-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167972484
3-[5-[4-[4-(hydroxymethyl)-2,2,4-trimethylpyrrolidine-1-carbonyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167918996
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-pent-4-yn-2-yltriazole-4-carboxamide
CID 167951899
3-[5-[4-(2-benzylazetidine-1-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167819524
3-[5-[4-(1-methyl-2-oxa-6-azabicyclo[3.2.1]octane-6-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167883987

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167982946) is 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)OC1CCCN(C(=O)c2cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn2)C1.
What is the InChIKey of 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is LGHRQFHMNJXQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5/c1-14(2)35-17-4-3-9-28(12-17)24(34)19-13-30(27-26-19)16-6-5-15-11-29(23(33)18(15)10-16)20-7-8-21(31)25-22(20)32/h5-6,10,13-14,17,20H,3-4,7-9,11-12H2,1-2H3,(H,25,31,32).
What are the key properties of 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 480.53 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167982946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).