3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione

C24H29F3N4O2 — CID 45480138

IUPAC3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
SMILESC=CCn1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C24H29F3N4O2/c1-2-11-30-21(17-22(32)31(23(30)33)19-8-4-3-5-9-19)29-14-12-28(13-15-29)20-10-6-7-18(16-20)24(25,26)27/h2,6-7,10,16-17,19H,1,3-5,8-9,11-15H2
InChIKeyRAUHQSLNCVTOAE-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.05
Rot. Bonds5

About 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione

3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione (PubChem CID 45480138) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
PubChem CID45480138
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
SMILESC=CCn1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C24H29F3N4O2/c1-2-11-30-21(17-22(32)31(23(30)33)19-8-4-3-5-9-19)29-14-12-28(13-15-29)20-10-6-7-18(16-20)24(25,26)27/h2,6-7,10,16-17,19H,1,3-5,8-9,11-15H2
InChIKeyRAUHQSLNCVTOAE-UHFFFAOYSA-N
XLogP4.05
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382279
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
3-cyclopentyl-6-hydroxy-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-dione
CID 123924584
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 46937223
1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7441354
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylphenyl)methyl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 53346543
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 79286115

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione (CID 45480138) is 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione is C=CCn1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
The InChIKey is RAUHQSLNCVTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-2-11-30-21(17-22(32)31(23(30)33)19-8-4-3-5-9-19)29-14-12-28(13-15-29)20-10-6-7-18(16-20)24(25,26)27/h2,6-7,10,16-17,19H,1,3-5,8-9,11-15H2.
What are the key properties of 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione has a molecular weight of 462.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 45480138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).