1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione

C23H27NO3 — CID 3044072

IUPAC1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H27NO3/c1-3-15-23(16-4-2)20(25)19(17-11-7-5-8-12-17)21(26)24(22(23)27)18-13-9-6-10-14-18/h3-5,7-8,11-12,18-19H,1-2,6,9-10,13-16H2
InChIKeyDDWZWIOZOLOARS-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.18
Rot. Bonds6

About 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione

1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione (PubChem CID 3044072) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione
PubChem CID3044072
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H27NO3/c1-3-15-23(16-4-2)20(25)19(17-11-7-5-8-12-17)21(26)24(22(23)27)18-13-9-6-10-14-18/h3-5,7-8,11-12,18-19H,1-2,6,9-10,13-16H2
InChIKeyDDWZWIOZOLOARS-UHFFFAOYSA-N
XLogP4.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione (CID 3044072) is 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione is C=CCC1(CC=C)C(=O)C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione?
The InChIKey is DDWZWIOZOLOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-15-23(16-4-2)20(25)19(17-11-7-5-8-12-17)21(26)24(22(23)27)18-13-9-6-10-14-18/h3-5,7-8,11-12,18-19H,1-2,6,9-10,13-16H2.
What are the key properties of 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione?
1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione has a molecular weight of 365.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-phenyl-3,3-bis(prop-2-enyl)piperidine-2,4,6-trione is sourced from PubChem (CID 3044072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).