3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C18H24N4O2 — CID 175880586

IUPAC3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(N[C@@H]4CCCNC4)cc3C2)C(=O)N1
InChIInChI=1S/C18H24N4O2/c23-17-6-5-16(18(24)21-17)22-10-12-3-4-14(8-13(12)11-22)20-15-2-1-7-19-9-15/h3-4,8,15-16,19-20H,1-2,5-7,9-11H2,(H,21,23,24)/t15-,16?/m1/s1
InChIKeyQDTIIPHASKUSCX-AAFJCEBUSA-N
MW328.42 g/mol
LogP0.97
Rot. Bonds3

About 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 175880586) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID175880586
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(N[C@@H]4CCCNC4)cc3C2)C(=O)N1
InChIInChI=1S/C18H24N4O2/c23-17-6-5-16(18(24)21-17)22-10-12-3-4-14(8-13(12)11-22)20-15-2-1-7-19-9-15/h3-4,8,15-16,19-20H,1-2,5-7,9-11H2,(H,21,23,24)/t15-,16?/m1/s1
InChIKeyQDTIIPHASKUSCX-AAFJCEBUSA-N
XLogP0.97
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-[6-(cyclohexylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 161477163
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158027
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
3-[3-oxo-5-[[[(3R)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740508
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158044
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023304
3-[5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 159474291
3-[5-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880194
3-[5-[(3S)-3-aminopiperidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880578
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 175880586) is 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(N[C@@H]4CCCNC4)cc3C2)C(=O)N1.
What is the InChIKey of 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QDTIIPHASKUSCX-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-6-5-16(18(24)21-17)22-10-12-3-4-14(8-13(12)11-22)20-15-2-1-7-19-9-15/h3-4,8,15-16,19-20H,1-2,5-7,9-11H2,(H,21,23,24)/t15-,16?/m1/s1.
What are the key properties of 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 328.42 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175880586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).