3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H24N4O3 — CID 167740787

IUPAC3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CN[C@@]45CCCN[C@@H]4C5)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H24N4O3/c25-17-6-5-15(18(26)23-17)24-11-14-12(3-1-4-13(14)19(24)27)10-22-20-7-2-8-21-16(20)9-20/h1,3-4,15-16,21-22H,2,5-11H2,(H,23,25,26)/t15?,16-,20-/m1/s1
InChIKeyOXZCUXDDXFFEBD-KOIGGSBLSA-N
MW368.44 g/mol
LogP0.43
Rot. Bonds4

About 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167740787) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167740787
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CN[C@@]45CCCN[C@@H]4C5)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H24N4O3/c25-17-6-5-15(18(26)23-17)24-11-14-12(3-1-4-13(14)19(24)27)10-22-20-7-2-8-21-16(20)9-20/h1,3-4,15-16,21-22H,2,5-11H2,(H,23,25,26)/t15?,16-,20-/m1/s1
InChIKeyOXZCUXDDXFFEBD-KOIGGSBLSA-N
XLogP0.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[(1,2,3,4,5,6,7,7a-octahydroindol-3a-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722707
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[[(1-morpholin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718363
3-[7-[[[(2S,3S)-2-methylpiperidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736879
4-[(1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridin-4a-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167719403
3-[7-[(3-azabicyclo[3.2.1]octan-1-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735173
3-[3-oxo-7-[[[(3S)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741137
3-[7-[(azepan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716749
3-[7-[[[(2S,3R)-2-methylpyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715937
3-[7-[[[(1R,2R)-2-aminocyclopropyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721287
3-[7-[3-[2-[3-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149278520
3-[7-[[2-(2-methylazetidin-2-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740199

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167740787) is 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CN[C@@]45CCCN[C@@H]4C5)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OXZCUXDDXFFEBD-KOIGGSBLSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-17-6-5-15(18(26)23-17)24-11-14-12(3-1-4-13(14)19(24)27)10-22-20-7-2-8-21-16(20)9-20/h1,3-4,15-16,21-22H,2,5-11H2,(H,23,25,26)/t15?,16-,20-/m1/s1.
What are the key properties of 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 368.44 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[[(1R,6R)-2-azabicyclo[4.1.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167740787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).