4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione

C16H20N2O3 — CID 70171779

IUPAC4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N(C(C)N1CCCCC1)C2=O
InChIInChI=1S/C16H20N2O3/c1-11(17-9-4-3-5-10-17)18-15(19)12-7-6-8-13(21-2)14(12)16(18)20/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyILLRDLCGYFJZAX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.12
Rot. Bonds3

About 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione

4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione (PubChem CID 70171779) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione
PubChem CID70171779
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N(C(C)N1CCCCC1)C2=O
InChIInChI=1S/C16H20N2O3/c1-11(17-9-4-3-5-10-17)18-15(19)12-7-6-8-13(21-2)14(12)16(18)20/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyILLRDLCGYFJZAX-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione
CID 139789664
methyl (2S,3R)-3-hydroxy-2-[(4-methoxy-1,3-dioxoisoindol-2-yl)methyl]butanoate
CID 10425311
1,5-dimethoxyfluoren-9-one
CID 19594782
4,5-dimethoxy-2-(1-phenylethyl)isoindole-1,3-dione
CID 69018522
2-[(1S)-1-[2-(difluoromethoxy)phenyl]ethyl]isoindole-1,3-dione
CID 118168964
1-(2,6-dimethoxyphenyl)azepan-2-one
CID 172766887
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
4-methoxy-2-(2H-tetrazol-5-yl)isoindole-1,3-dione
CID 90849315
2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 86918659
5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
CID 70190893
4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
CID 82076967
7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione?
The IUPAC name of 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione (CID 70171779) is 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione is COc1cccc2c1C(=O)N(C(C)N1CCCCC1)C2=O.
What is the InChIKey of 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione?
The InChIKey is ILLRDLCGYFJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(17-9-4-3-5-10-17)18-15(19)12-7-6-8-13(21-2)14(12)16(18)20/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione?
4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 70171779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).