5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride

C16H20ClN3O3 — CID 119467995

IUPAC5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
SMILESCN1C(=O)c2ccc(C(=O)N3CCCCC3CN)cc2C1=O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-18-15(21)12-6-5-10(8-13(12)16(18)22)14(20)19-7-3-2-4-11(19)9-17;/h5-6,8,11H,2-4,7,9,17H2,1H3;1H
InChIKeyYBURAUNLQGAWGV-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.29
Rot. Bonds2

About 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride

5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride (PubChem CID 119467995) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
PubChem CID119467995
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
SMILESCN1C(=O)c2ccc(C(=O)N3CCCCC3CN)cc2C1=O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-18-15(21)12-6-5-10(8-13(12)16(18)22)14(20)19-7-3-2-4-11(19)9-17;/h5-6,8,11H,2-4,7,9,17H2,1H3;1H
InChIKeyYBURAUNLQGAWGV-UHFFFAOYSA-N
XLogP1.29
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.29
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

5-[2-(aminomethyl)piperidine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 119467137
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione;hydrochloride
CID 119631915
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
CID 119468549
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 60574866
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119485321
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
6-[2-(aminomethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 119468267
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride (CID 119467995) is 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride is CN1C(=O)c2ccc(C(=O)N3CCCCC3CN)cc2C1=O.Cl.
What is the InChIKey of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride?
The InChIKey is YBURAUNLQGAWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-18-15(21)12-6-5-10(8-13(12)16(18)22)14(20)19-7-3-2-4-11(19)9-17;/h5-6,8,11H,2-4,7,9,17H2,1H3;1H.
What are the key properties of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride?
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119467995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).