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

C22H25N5O4 — CID 167738643

IUPAC3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CNc4nc(C5CCNCC5)co4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H25N5O4/c28-19-4-3-18(20(29)26-19)27-11-15-2-1-13(9-16(15)21(27)30)10-24-22-25-17(12-31-22)14-5-7-23-8-6-14/h1-2,9,12,14,18,23H,3-8,10-11H2,(H,24,25)(H,26,28,29)
InChIKeyPIPBYCYGOBWMAT-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.51
Rot. Bonds5

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

3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167738643) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167738643
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CNc4nc(C5CCNCC5)co4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H25N5O4/c28-19-4-3-18(20(29)26-19)27-11-15-2-1-13(9-16(15)21(27)30)10-24-22-25-17(12-31-22)14-5-7-23-8-6-14/h1-2,9,12,14,18,23H,3-8,10-11H2,(H,24,25)(H,26,28,29)
InChIKeyPIPBYCYGOBWMAT-UHFFFAOYSA-N
XLogP1.51
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.51
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

2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione
CID 167718274
3-[3-oxo-5-[[(5-piperazin-1-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737360
3-[3-oxo-5-[[(4-pyrrolidin-3-yl-1,3-thiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716864
3-[3-oxo-5-[(2-piperidin-4-ylideneethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738000
3-[3-oxo-5-[[[1-(piperidin-4-ylmethyl)pyrazol-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717538
3-[5-[[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740918
3-[5-[[[(1R,2S)-2-(aminomethyl)cyclobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729444
3-[5-[(azepan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715327
3-[5-[[(4-ethylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741296
3-[5-[[[2-(aminomethyl)pyrimidin-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717072
3-[5-[[1-(4-hydroxypiperidin-4-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735807
3-[5-[(1-oxa-8-azaspiro[4.5]decan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717311

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167738643) is 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CNc4nc(C5CCNCC5)co4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is PIPBYCYGOBWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c28-19-4-3-18(20(29)26-19)27-11-15-2-1-13(9-16(15)21(27)30)10-24-22-25-17(12-31-22)14-5-7-23-8-6-14/h1-2,9,12,14,18,23H,3-8,10-11H2,(H,24,25)(H,26,28,29).
What are the key properties of 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 423.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167738643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).