3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione

C15H18ClNO2 — CID 79454345

IUPAC3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione
SMILESCCCC1(C)CC(=O)NC(=O)C1c1ccccc1Cl
InChIInChI=1S/C15H18ClNO2/c1-3-8-15(2)9-12(18)17-14(19)13(15)10-6-4-5-7-11(10)16/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyLLHULQTUGRFAAI-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.28
Rot. Bonds3

About 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione

3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione (PubChem CID 79454345) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione
PubChem CID79454345
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione
SMILESCCCC1(C)CC(=O)NC(=O)C1c1ccccc1Cl
InChIInChI=1S/C15H18ClNO2/c1-3-8-15(2)9-12(18)17-14(19)13(15)10-6-4-5-7-11(10)16/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyLLHULQTUGRFAAI-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione?
The IUPAC name of 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione (CID 79454345) is 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione?
The canonical SMILES for 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione is CCCC1(C)CC(=O)NC(=O)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione?
The InChIKey is LLHULQTUGRFAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-8-15(2)9-12(18)17-14(19)13(15)10-6-4-5-7-11(10)16/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione?
3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione has a molecular weight of 279.77 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione is sourced from PubChem (CID 79454345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).