(3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione

C15H17N3O2 — CID 67019681

IUPAC(3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione
SMILESC[C@]1(n2cc3ccc(CN)cc3c2)CCC(=O)NC1=O
InChIInChI=1S/C15H17N3O2/c1-15(5-4-13(19)17-14(15)20)18-8-11-3-2-10(7-16)6-12(11)9-18/h2-3,6,8-9H,4-5,7,16H2,1H3,(H,17,19,20)/t15-/m0/s1
InChIKeyQLENKSVSPMPSKG-HNNXBMFYSA-N
MW271.32 g/mol
LogP1.25
Rot. Bonds2

About (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione

(3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione (PubChem CID 67019681) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione
PubChem CID67019681
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione
SMILESC[C@]1(n2cc3ccc(CN)cc3c2)CCC(=O)NC1=O
InChIInChI=1S/C15H17N3O2/c1-15(5-4-13(19)17-14(15)20)18-8-11-3-2-10(7-16)6-12(11)9-18/h2-3,6,8-9H,4-5,7,16H2,1H3,(H,17,19,20)/t15-/m0/s1
InChIKeyQLENKSVSPMPSKG-HNNXBMFYSA-N
XLogP1.25
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione (CID 67019681) is (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione is C[C@]1(n2cc3ccc(CN)cc3c2)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
The InChIKey is QLENKSVSPMPSKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(5-4-13(19)17-14(15)20)18-8-11-3-2-10(7-16)6-12(11)9-18/h2-3,6,8-9H,4-5,7,16H2,1H3,(H,17,19,20)/t15-/m0/s1.
What are the key properties of (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
(3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione has a molecular weight of 271.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(aminomethyl)isoindol-2-yl]-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 67019681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).