4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione

C18H18N4O2 — CID 178083138

IUPAC4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N([C@@H]1CCCN(c3ccccn3)C1)C2=O
InChIInChI=1S/C18H18N4O2/c19-14-7-3-6-13-16(14)18(24)22(17(13)23)12-5-4-10-21(11-12)15-8-1-2-9-20-15/h1-3,6-9,12H,4-5,10-11,19H2/t12-/m1/s1
InChIKeyRLSFVGSPICFEKR-GFCCVEGCSA-N
MW322.37 g/mol
LogP1.93
Rot. Bonds2

About 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione

4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione (PubChem CID 178083138) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione
PubChem CID178083138
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N([C@@H]1CCCN(c3ccccn3)C1)C2=O
InChIInChI=1S/C18H18N4O2/c19-14-7-3-6-13-16(14)18(24)22(17(13)23)12-5-4-10-21(11-12)15-8-1-2-9-20-15/h1-3,6-9,12H,4-5,10-11,19H2/t12-/m1/s1
InChIKeyRLSFVGSPICFEKR-GFCCVEGCSA-N
XLogP1.93
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]isoindole-1,3-dione
CID 178083171
4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione
CID 178083167
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
4-amino-2-(4,4-dimethylcycloheptyl)isoindole-1,3-dione
CID 65084134
4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione
CID 43209492
7-amino-3-hydroxy-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-3H-isoindol-1-one
CID 178083175
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
CID 139204663
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
1-cyclohexyl-3-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110559607
6-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridazin-3-amine
CID 95847067

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione (CID 178083138) is 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione is Nc1cccc2c1C(=O)N([C@@H]1CCCN(c3ccccn3)C1)C2=O.
What is the InChIKey of 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is RLSFVGSPICFEKR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-14-7-3-6-13-16(14)18(24)22(17(13)23)12-5-4-10-21(11-12)15-8-1-2-9-20-15/h1-3,6-9,12H,4-5,10-11,19H2/t12-/m1/s1.
What are the key properties of 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione?
4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 322.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 178083138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).