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

C16H21N3O2 — CID 43607537

IUPAC2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccccc2C1=O)C1CCNCC1
InChIInChI=1S/C16H21N3O2/c1-18(12-6-8-17-9-7-12)10-11-19-15(20)13-4-2-3-5-14(13)16(19)21/h2-5,12,17H,6-11H2,1H3
InChIKeySWYXVYCVWONBSC-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.97
Rot. Bonds4

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

2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione (PubChem CID 43607537) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione
PubChem CID43607537
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccccc2C1=O)C1CCNCC1
InChIInChI=1S/C16H21N3O2/c1-18(12-6-8-17-9-7-12)10-11-19-15(20)13-4-2-3-5-14(13)16(19)21/h2-5,12,17H,6-11H2,1H3
InChIKeySWYXVYCVWONBSC-UHFFFAOYSA-N
XLogP0.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.97
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-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
CID 70929216
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
CID 63870873
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 82177104
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
2-[cyclopropyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]propanoic acid
CID 122083156
2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione
CID 175771620
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119741133
2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione
CID 18271977
2-[2-[6,11-dihydrobenzo[c][1]benzothiepin-11-yl(methyl)amino]ethyl]isoindole-1,3-dione
CID 50852425
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 48736556

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione (CID 43607537) is 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione is CN(CCN1C(=O)c2ccccc2C1=O)C1CCNCC1.
What is the InChIKey of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is SWYXVYCVWONBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(12-6-8-17-9-7-12)10-11-19-15(20)13-4-2-3-5-14(13)16(19)21/h2-5,12,17H,6-11H2,1H3.
What are the key properties of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione?
2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 287.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 43607537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).