(3S)-3-(3-aminoanilino)piperidine-2,6-dione

C11H13N3O2 — CID 150496392

IUPAC(3S)-3-(3-aminoanilino)piperidine-2,6-dione
SMILESNc1cccc(N[C@H]2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h1-3,6,9,13H,4-5,12H2,(H,14,15,16)/t9-/m0/s1
InChIKeyHWWKOVGSUZFLBU-VIFPVBQESA-N
MW219.24 g/mol
LogP0.49
Rot. Bonds2

About (3S)-3-(3-aminoanilino)piperidine-2,6-dione

(3S)-3-(3-aminoanilino)piperidine-2,6-dione (PubChem CID 150496392) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3S)-3-(3-aminoanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(3-aminoanilino)piperidine-2,6-dione
PubChem CID150496392
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(3S)-3-(3-aminoanilino)piperidine-2,6-dione
SMILESNc1cccc(N[C@H]2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h1-3,6,9,13H,4-5,12H2,(H,14,15,16)/t9-/m0/s1
InChIKeyHWWKOVGSUZFLBU-VIFPVBQESA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-aminoanilino)piperidine-2,6-dione?
The IUPAC name of (3S)-3-(3-aminoanilino)piperidine-2,6-dione (CID 150496392) is (3S)-3-(3-aminoanilino)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(3-aminoanilino)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-(3-aminoanilino)piperidine-2,6-dione is Nc1cccc(N[C@H]2CCC(=O)NC2=O)c1.
What is the InChIKey of (3S)-3-(3-aminoanilino)piperidine-2,6-dione?
The InChIKey is HWWKOVGSUZFLBU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h1-3,6,9,13H,4-5,12H2,(H,14,15,16)/t9-/m0/s1.
What are the key properties of (3S)-3-(3-aminoanilino)piperidine-2,6-dione?
(3S)-3-(3-aminoanilino)piperidine-2,6-dione has a molecular weight of 219.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-aminoanilino)piperidine-2,6-dione is sourced from PubChem (CID 150496392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).