4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione

C16H21NO4 — CID 79310299

IUPAC4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCOc1cc(OC)cc(C2CC(=O)NC(=O)C2C(C)C)c1
InChIInChI=1S/C16H21NO4/c1-9(2)15-13(8-14(18)17-16(15)19)10-5-11(20-3)7-12(6-10)21-4/h5-7,9,13,15H,8H2,1-4H3,(H,17,18,19)
InChIKeyKZWFHLCFHCVFTK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.11
Rot. Bonds4

About 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione

4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79310299) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79310299
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCOc1cc(OC)cc(C2CC(=O)NC(=O)C2C(C)C)c1
InChIInChI=1S/C16H21NO4/c1-9(2)15-13(8-14(18)17-16(15)19)10-5-11(20-3)7-12(6-10)21-4/h5-7,9,13,15H,8H2,1-4H3,(H,17,18,19)
InChIKeyKZWFHLCFHCVFTK-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.11
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 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione (CID 79310299) is 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione is COc1cc(OC)cc(C2CC(=O)NC(=O)C2C(C)C)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is KZWFHLCFHCVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-9(2)15-13(8-14(18)17-16(15)19)10-5-11(20-3)7-12(6-10)21-4/h5-7,9,13,15H,8H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione?
4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79310299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).