3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C22H29N3O2 — CID 174200328

IUPAC3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC=C1c2ccc(CCC3CCCCN3C)cc2CN1C1CCC(=O)NC1=O
InChIInChI=1S/C22H29N3O2/c1-15-19-9-7-16(6-8-18-5-3-4-12-24(18)2)13-17(19)14-25(15)20-10-11-21(26)23-22(20)27/h7,9,13,18,20H,1,3-6,8,10-12,14H2,2H3,(H,23,26,27)
InChIKeyKVQHDOHHFFUZKS-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.69
Rot. Bonds4

About 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 174200328) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID174200328
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC=C1c2ccc(CCC3CCCCN3C)cc2CN1C1CCC(=O)NC1=O
InChIInChI=1S/C22H29N3O2/c1-15-19-9-7-16(6-8-18-5-3-4-12-24(18)2)13-17(19)14-25(15)20-10-11-21(26)23-22(20)27/h7,9,13,18,20H,1,3-6,8,10-12,14H2,2H3,(H,23,26,27)
InChIKeyKVQHDOHHFFUZKS-UHFFFAOYSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-methylidene-6-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167471236
3-[6-[2-(2,6-difluorophenyl)-2-fluoroethyl]-3-methylidene-1H-isoindol-2-yl]piperidine-2,6-dione
CID 139456837
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
5-[6-[2-[2-(benzylamino)cyclohexyl]ethyl]-3-methylidene-1H-isoindol-2-yl]-6-sulfanylidenepiperidin-2-one
CID 170099844
3-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167612932
3-[3-oxo-6-(2-oxo-2-piperidin-1-ylethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176616040
(3S)-3-[6-[[(1R,2S)-2-aminocyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170412602
3-[6-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-methylidene-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142562559
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[6-[4-(3-methoxyphenyl)-3,4-dioxobutyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 158519993

Frequently Asked Questions

What is the IUPAC name of 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 174200328) is 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione is C=C1c2ccc(CCC3CCCCN3C)cc2CN1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KVQHDOHHFFUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-19-9-7-16(6-8-18-5-3-4-12-24(18)2)13-17(19)14-25(15)20-10-11-21(26)23-22(20)27/h7,9,13,18,20H,1,3-6,8,10-12,14H2,2H3,(H,23,26,27).
What are the key properties of 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 367.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methylidene-6-[2-(1-methylpiperidin-2-yl)ethyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 174200328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).