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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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).