3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione

C17H23NO3 — CID 21425372

IUPAC3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione
SMILESCCCC1(c2cccc(OC)c2)C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C17H23NO3/c1-5-9-17(12-7-6-8-13(10-12)21-4)15(20)18-14(19)11-16(17,2)3/h6-8,10H,5,9,11H2,1-4H3,(H,18,19,20)
InChIKeyKVYYQQZTWJUJRJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds4

About 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione

3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione (PubChem CID 21425372) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione
PubChem CID21425372
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione
SMILESCCCC1(c2cccc(OC)c2)C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C17H23NO3/c1-5-9-17(12-7-6-8-13(10-12)21-4)15(20)18-14(19)11-16(17,2)3/h6-8,10H,5,9,11H2,1-4H3,(H,18,19,20)
InChIKeyKVYYQQZTWJUJRJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione?
The IUPAC name of 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione (CID 21425372) is 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione is CCCC1(c2cccc(OC)c2)C(=O)NC(=O)CC1(C)C.
What is the InChIKey of 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione?
The InChIKey is KVYYQQZTWJUJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-9-17(12-7-6-8-13(10-12)21-4)15(20)18-14(19)11-16(17,2)3/h6-8,10H,5,9,11H2,1-4H3,(H,18,19,20).
What are the key properties of 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione?
3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione has a molecular weight of 289.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 21425372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).