(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione

C15H18N2O2 — CID 154967466

IUPAC(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione
SMILESO=C1CC[C@H](NCC2CCc3ccccc32)C(=O)N1
InChIInChI=1S/C15H18N2O2/c18-14-8-7-13(15(19)17-14)16-9-11-6-5-10-3-1-2-4-12(10)11/h1-4,11,13,16H,5-9H2,(H,17,18,19)/t11?,13-/m0/s1
InChIKeyUHYWYLJDKBZHTQ-YUZLPWPTSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds3

About (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione

(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione (PubChem CID 154967466) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione
PubChem CID154967466
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione
SMILESO=C1CC[C@H](NCC2CCc3ccccc32)C(=O)N1
InChIInChI=1S/C15H18N2O2/c18-14-8-7-13(15(19)17-14)16-9-11-6-5-10-3-1-2-4-12(10)11/h1-4,11,13,16H,5-9H2,(H,17,18,19)/t11?,13-/m0/s1
InChIKeyUHYWYLJDKBZHTQ-YUZLPWPTSA-N
XLogP1.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
CID 60727404
(1R)-N-(2,6-dioxopiperidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142535910
3-(cyclooctylmethylamino)piperidine-2,6-dione
CID 114207756
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
CID 103982382
3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
CID 91165365
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione
CID 112652138
3-(oxan-2-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313250
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidine-2,6-dione
CID 66393201
2-[[[(3S)-2,6-dioxopiperidin-3-yl]amino]methyl]benzoic acid;hydrobromide
CID 162326587
2-[[[(3R)-2,6-dioxopiperidin-3-yl]amino]methyl]benzoic acid;hydrobromide
CID 162326588
3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione
CID 79551566

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione?
The IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione (CID 154967466) is (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione is O=C1CC[C@H](NCC2CCc3ccccc32)C(=O)N1.
What is the InChIKey of (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione?
The InChIKey is UHYWYLJDKBZHTQ-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-8-7-13(15(19)17-14)16-9-11-6-5-10-3-1-2-4-12(10)11/h1-4,11,13,16H,5-9H2,(H,17,18,19)/t11?,13-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione?
(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione has a molecular weight of 258.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione is sourced from PubChem (CID 154967466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).