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

C24H31N5O4 — CID 167739085

IUPAC3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(CNCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CN(C2CCNCC2)C1=O
InChIInChI=1S/C24H31N5O4/c1-24(14-29(23(24)33)16-7-9-25-10-8-16)13-26-11-15-3-2-4-17-18(15)12-28(22(17)32)19-5-6-20(30)27-21(19)31/h2-4,16,19,25-26H,5-14H2,1H3,(H,27,30,31)
InChIKeyNOCWLZXRPXPLPM-UHFFFAOYSA-N
MW453.54 g/mol
LogP0.14
Rot. Bonds6

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

3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167739085) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167739085
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(CNCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CN(C2CCNCC2)C1=O
InChIInChI=1S/C24H31N5O4/c1-24(14-29(23(24)33)16-7-9-25-10-8-16)13-26-11-15-3-2-4-17-18(15)12-28(22(17)32)19-5-6-20(30)27-21(19)31/h2-4,16,19,25-26H,5-14H2,1H3,(H,27,30,31)
InChIKeyNOCWLZXRPXPLPM-UHFFFAOYSA-N
XLogP0.14
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-[[(4-methylpiperidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714315
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-[3-oxo-7-[[(1-piperidin-4-ylpiperidin-4-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716275
3-[7-[[2-(2-methylazetidin-2-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740199
3-[7-[[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740982
2-(2,6-dioxopiperidin-3-yl)-5-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]isoindole-1,3-dione
CID 167738283
3-[7-[(azepan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716749
3-[7-[[(3,3-difluoropiperidin-4-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725478
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-[[(2,2,2-trifluoro-1-piperidin-4-ylethyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736184
3-[7-[[[(2S)-2-(methylamino)propyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742117

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1(CNCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CN(C2CCNCC2)C1=O.
What is the InChIKey of 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NOCWLZXRPXPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-24(14-29(23(24)33)16-7-9-25-10-8-16)13-26-11-15-3-2-4-17-18(15)12-28(22(17)32)19-5-6-20(30)27-21(19)31/h2-4,16,19,25-26H,5-14H2,1H3,(H,27,30,31).
What are the key properties of 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 453.54 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[(3-methyl-2-oxo-1-piperidin-4-ylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167739085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).