2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride

C16H20ClN3O3 — CID 119562529

IUPAC2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
SMILESCNC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-17-11-6-8-18(9-7-11)14(20)10-19-15(21)12-4-2-3-5-13(12)16(19)22;/h2-5,11,17H,6-10H2,1H3;1H
InChIKeySAZKLUFKQWOZHM-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.91
Rot. Bonds3

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

2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride (PubChem CID 119562529) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
PubChem CID119562529
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
SMILESCNC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-17-11-6-8-18(9-7-11)14(20)10-19-15(21)12-4-2-3-5-13(12)16(19)22;/h2-5,11,17H,6-10H2,1H3;1H
InChIKeySAZKLUFKQWOZHM-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.91
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

2-[2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dioxoisoindole
CID 108564651
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554022
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
2-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 108551996
3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide
CID 108555684
2-[[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione;hydrochloride
CID 119562797
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9017520

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride (CID 119562529) is 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride is CNC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1.Cl.
What is the InChIKey of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is SAZKLUFKQWOZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-17-11-6-8-18(9-7-11)14(20)10-19-15(21)12-4-2-3-5-13(12)16(19)22;/h2-5,11,17H,6-10H2,1H3;1H.
What are the key properties of 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride?
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119562529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).