3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167729847) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	167729847
Molecular Formula	C25H29N5O3
Molecular Weight	447.54 g/mol
Exact Mass	447.23
IUPAC Name	3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	O=C1CCC(N2Cc3cc(CN4CCn5cccc5C45CCCNC5)ccc3C2=O)C(=O)N1
InChI	InChI=1S/C25H29N5O3/c31-22-7-6-20(23(32)27-22)30-15-18-13-17(4-5-19(18)24(30)33)14-29-12-11-28-10-1-3-21(28)25(29)8-2-9-26-16-25/h1,3-5,10,13,20,26H,2,6-9,11-12,14-16H2,(H,27,31,32)
InChIKey	WBUVMTRUXLBCTQ-UHFFFAOYSA-N
XLogP	1.34
TPSA	86.68 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167729847) is 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CN4CCn5cccc5C45CCCNC5)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is WBUVMTRUXLBCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c31-22-7-6-20(23(32)27-22)30-15-18-13-17(4-5-19(18)24(30)33)14-29-12-11-28-10-1-3-21(28)25(29)8-2-9-26-16-25/h1,3-5,10,13,20,26H,2,6-9,11-12,14-16H2,(H,27,31,32).

What are the key properties of 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 447.54 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-6-(spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-piperidine]-2-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167729847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).