3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C23H27N5O4 — CID 167731607

IUPAC3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CNCc4cc(C5CCNCC5)no4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H27N5O4/c29-21-5-4-20(22(30)26-21)28-13-18-15(2-1-3-17(18)23(28)31)11-25-12-16-10-19(27-32-16)14-6-8-24-9-7-14/h1-3,10,14,20,24-25H,4-9,11-13H2,(H,26,29,30)
InChIKeyCUOXNNPQDKPNKN-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.19
Rot. Bonds6

About 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167731607) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167731607
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CNCc4cc(C5CCNCC5)no4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H27N5O4/c29-21-5-4-20(22(30)26-21)28-13-18-15(2-1-3-17(18)23(28)31)11-25-12-16-10-19(27-32-16)14-6-8-24-9-7-14/h1-3,10,14,20,24-25H,4-9,11-13H2,(H,26,29,30)
InChIKeyCUOXNNPQDKPNKN-UHFFFAOYSA-N
XLogP1.19
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.19
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

3-[7-[(azepan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716749
3-[3-oxo-7-[(2-piperazin-1-ylethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738612
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[[(4-methylpiperidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714315
3-[7-[[(3,3-difluoropiperidin-4-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725478
3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739085
3-[7-[[[5-(hydroxymethyl)azepan-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719809
3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722358
3-[3-oxo-7-[[[(3S)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741137
3-[7-[[2-(azetidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742706
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
3-[3-oxo-7-[[(3-piperazin-1-yl-1H-pyrazol-5-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714798

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167731607) is 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CNCc4cc(C5CCNCC5)no4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is CUOXNNPQDKPNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c29-21-5-4-20(22(30)26-21)28-13-18-15(2-1-3-17(18)23(28)31)11-25-12-16-10-19(27-32-16)14-6-8-24-9-7-14/h1-3,10,14,20,24-25H,4-9,11-13H2,(H,26,29,30).
What are the key properties of 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 437.50 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167731607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).