1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione

C16H15F3N2O3 — CID 71681856

IUPAC1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)10-4-3-7-12(8-10)21-14(23)9-13(22)20(15(21)24)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeyBPHFQSNAQYOYJQ-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.33
Rot. Bonds2

About 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione

1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione (PubChem CID 71681856) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
PubChem CID71681856
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)10-4-3-7-12(8-10)21-14(23)9-13(22)20(15(21)24)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeyBPHFQSNAQYOYJQ-UHFFFAOYSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
1-(m-Trifluorophenyl)piperazine, 13
CID 42618274
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
3-cyclohexyl-6-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 45100448
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510
1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione
CID 255219
1-[3-(Trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 5189254
1-benzyl-3-(3,5-dimethylphenyl)dihydro-2,4(1H,3H)-pyrimidinedione
CID 2812716

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione (CID 71681856) is 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is BPHFQSNAQYOYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-16(18,19)10-4-3-7-12(8-10)21-14(23)9-13(22)20(15(21)24)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2.
What are the key properties of 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione?
1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 340.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 71681856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).