4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione

C17H22N2O2 — CID 103430492

IUPAC4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CC1CCNCC1C)C2=O
InChIInChI=1S/C17H22N2O2/c1-10-4-5-11(2)15-14(10)16(20)19(17(15)21)9-13-6-7-18-8-12(13)3/h4-5,12-13,18H,6-9H2,1-3H3
InChIKeyVKEUAFCXIFFGDG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.15
Rot. Bonds2

About 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione

4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione (PubChem CID 103430492) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione
PubChem CID103430492
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CC1CCNCC1C)C2=O
InChIInChI=1S/C17H22N2O2/c1-10-4-5-11(2)15-14(10)16(20)19(17(15)21)9-13-6-7-18-8-12(13)3/h4-5,12-13,18H,6-9H2,1-3H3
InChIKeyVKEUAFCXIFFGDG-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114700534
4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549560
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
CID 103430966
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
CID 106777878
4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione
CID 106996376
3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione
CID 114956274
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 114700187
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
2,5-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 114700062

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione (CID 103430492) is 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(CC1CCNCC1C)C2=O.
What is the InChIKey of 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is VKEUAFCXIFFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-4-5-11(2)15-14(10)16(20)19(17(15)21)9-13-6-7-18-8-12(13)3/h4-5,12-13,18H,6-9H2,1-3H3.
What are the key properties of 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione?
4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 286.38 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 103430492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).