3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H26N4O4 — CID 167740932

IUPAC3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CNC4(C5CNCCO5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C21H26N4O4/c26-17-5-4-15(19(27)24-17)25-12-14-3-1-2-13(18(14)20(25)28)10-23-21(6-7-21)16-11-22-8-9-29-16/h1-3,15-16,22-23H,4-12H2,(H,24,26,27)
InChIKeyWGOOKSGEWAJXBQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.06
Rot. Bonds5

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

3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167740932) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167740932
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CNC4(C5CNCCO5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C21H26N4O4/c26-17-5-4-15(19(27)24-17)25-12-14-3-1-2-13(18(14)20(25)28)10-23-21(6-7-21)16-11-22-8-9-29-16/h1-3,15-16,22-23H,4-12H2,(H,24,26,27)
InChIKeyWGOOKSGEWAJXBQ-UHFFFAOYSA-N
XLogP0.06
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718363
3-[4-[[(3-cyclopropylpyrrolidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734515
3-[4-[[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733707
3-[4-[(azepan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716560
3-[4-[[(4-methylpiperidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727852
3-[3-oxo-4-[[(3-pyrrolidin-3-ylcyclobutyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714727
3-[4-(4,8-diazabicyclo[5.1.0]octan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719888
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736092
3-[4-[(3-azabicyclo[3.2.1]octan-8-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723290
3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725211
3-[3-oxo-4-[[[6-(trifluoromethyl)-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714578
3-[3-oxo-4-[(2-piperidin-3-ylethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732299

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167740932) is 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(CNC4(C5CNCCO5)CC4)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is WGOOKSGEWAJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-17-5-4-15(19(27)24-17)25-12-14-3-1-2-13(18(14)20(25)28)10-23-21(6-7-21)16-11-22-8-9-29-16/h1-3,15-16,22-23H,4-12H2,(H,24,26,27).
What are the key properties of 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 398.46 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167740932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).