2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione

C16H21N3O2 — CID 115305337

IUPAC2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESCNC1(C)CCN(CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H21N3O2/c1-16(17-2)7-9-18(10-8-16)11-19-14(20)12-5-3-4-6-13(12)15(19)21/h3-6,17H,7-11H2,1-2H3
InChIKeyONMBSPZAHVFHIV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.31
Rot. Bonds3

About 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione

2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 115305337) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID115305337
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESCNC1(C)CCN(CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H21N3O2/c1-16(17-2)7-9-18(10-8-16)11-19-14(20)12-5-3-4-6-13(12)15(19)21/h3-6,17H,7-11H2,1-2H3
InChIKeyONMBSPZAHVFHIV-UHFFFAOYSA-N
XLogP1.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79420634
2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 17023423
2-[(4-benzylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 674319
2-[[(3S)-3-methylpiperazin-1-yl]methyl]isoindole-1,3-dione
CID 104976649
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 102959641
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79030827
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305042
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine
CID 113283076
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
2-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217
N,4-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 115305313

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione (CID 115305337) is 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione is CNC1(C)CCN(CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is ONMBSPZAHVFHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(17-2)7-9-18(10-8-16)11-19-14(20)12-5-3-4-6-13(12)15(19)21/h3-6,17H,7-11H2,1-2H3.
What are the key properties of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 287.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 115305337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).