1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione

C16H21NO3 — CID 2835330

IUPAC1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione
SMILESCC(C)Oc1ccc(CC2CCC(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)20-14-7-4-12(5-8-14)10-13-6-9-15(18)17(3)16(13)19/h4-5,7-8,11,13H,6,9-10H2,1-3H3
InChIKeyXJBQXZMZEYQTHI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds4

About 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione

1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 2835330) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione
PubChem CID2835330
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione
SMILESCC(C)Oc1ccc(CC2CCC(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)20-14-7-4-12(5-8-14)10-13-6-9-15(18)17(3)16(13)19/h4-5,7-8,11,13H,6,9-10H2,1-3H3
InChIKeyXJBQXZMZEYQTHI-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
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 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione (CID 2835330) is 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione is CC(C)Oc1ccc(CC2CCC(=O)N(C)C2=O)cc1.
What is the InChIKey of 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is XJBQXZMZEYQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)20-14-7-4-12(5-8-14)10-13-6-9-15(18)17(3)16(13)19/h4-5,7-8,11,13H,6,9-10H2,1-3H3.
What are the key properties of 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione?
1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 275.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 2835330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).