4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione

C18H23NO2 — CID 79424502

IUPAC4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC2C2CCCCC2)c1
InChIInChI=1S/C18H23NO2/c1-12-6-5-9-14(10-12)17-15(11-16(20)19-18(17)21)13-7-3-2-4-8-13/h5-6,9-10,13,15,17H,2-4,7-8,11H2,1H3,(H,19,20,21)
InChIKeyNNYWMQIRRZBZSN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds2

About 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione

4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione (PubChem CID 79424502) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione
PubChem CID79424502
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC2C2CCCCC2)c1
InChIInChI=1S/C18H23NO2/c1-12-6-5-9-14(10-12)17-15(11-16(20)19-18(17)21)13-7-3-2-4-8-13/h5-6,9-10,13,15,17H,2-4,7-8,11H2,1H3,(H,19,20,21)
InChIKeyNNYWMQIRRZBZSN-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
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 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione (CID 79424502) is 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione is Cc1cccc(C2C(=O)NC(=O)CC2C2CCCCC2)c1.
What is the InChIKey of 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione?
The InChIKey is NNYWMQIRRZBZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-5-9-14(10-12)17-15(11-16(20)19-18(17)21)13-7-3-2-4-8-13/h5-6,9-10,13,15,17H,2-4,7-8,11H2,1H3,(H,19,20,21).
What are the key properties of 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione?
4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione has a molecular weight of 285.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 79424502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).