3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one

C16H20N2O2 — CID 63870034

IUPAC3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C16H20N2O2/c1-12-14-4-2-3-5-15(14)16(19)18(12)10-11-20-13-6-8-17-9-7-13/h2-5,13,17H,1,6-11H2
InChIKeyGLBLJCRKDAJENB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.88
Rot. Bonds4

About 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one

3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one (PubChem CID 63870034) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one.

Molecular Properties

Compound Name3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one
PubChem CID63870034
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C16H20N2O2/c1-12-14-4-2-3-5-15(14)16(19)18(12)10-11-20-13-6-8-17-9-7-13/h2-5,13,17H,1,6-11H2
InChIKeyGLBLJCRKDAJENB-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one?
The IUPAC name of 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one (CID 63870034) is 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one.
What is the SMILES notation for 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one?
The canonical SMILES for 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one is C=C1c2ccccc2C(=O)N1CCOC1CCNCC1.
What is the InChIKey of 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one?
The InChIKey is GLBLJCRKDAJENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-14-4-2-3-5-15(14)16(19)18(12)10-11-20-13-6-8-17-9-7-13/h2-5,13,17H,1,6-11H2.
What are the key properties of 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one?
3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one is sourced from PubChem (CID 63870034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).