(3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione

C23H21N3O2 — CID 141169727

IUPAC(3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione
SMILESC[C@]1(n2cc3cccc(Nc4ccc5c(c4)C=CC5)c3c2)CCC(=O)NC1=O
InChIInChI=1S/C23H21N3O2/c1-23(11-10-21(27)25-22(23)28)26-13-17-6-3-7-20(19(17)14-26)24-18-9-8-15-4-2-5-16(15)12-18/h2-3,5-9,12-14,24H,4,10-11H2,1H3,(H,25,27,28)/t23-/m0/s1
InChIKeyVJKHMLXVOZKNIA-QHCPKHFHSA-N
MW371.44 g/mol
LogP4.11
Rot. Bonds3

About (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione

(3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione (PubChem CID 141169727) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione
PubChem CID141169727
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name(3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione
SMILESC[C@]1(n2cc3cccc(Nc4ccc5c(c4)C=CC5)c3c2)CCC(=O)NC1=O
InChIInChI=1S/C23H21N3O2/c1-23(11-10-21(27)25-22(23)28)26-13-17-6-3-7-20(19(17)14-26)24-18-9-8-15-4-2-5-16(15)12-18/h2-3,5-9,12-14,24H,4,10-11H2,1H3,(H,25,27,28)/t23-/m0/s1
InChIKeyVJKHMLXVOZKNIA-QHCPKHFHSA-N
XLogP4.11
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.11
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-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione (CID 141169727) is (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione is C[C@]1(n2cc3cccc(Nc4ccc5c(c4)C=CC5)c3c2)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
The InChIKey is VJKHMLXVOZKNIA-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-23(11-10-21(27)25-22(23)28)26-13-17-6-3-7-20(19(17)14-26)24-18-9-8-15-4-2-5-16(15)12-18/h2-3,5-9,12-14,24H,4,10-11H2,1H3,(H,25,27,28)/t23-/m0/s1.
What are the key properties of (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione?
(3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione has a molecular weight of 371.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(1H-inden-5-ylamino)isoindol-2-yl]-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 141169727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).