1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea

C21H27F3N4O3 — CID 6487920

IUPAC1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCN(C(=O)C2(NC(=O)Nc3ccc(C(F)(F)F)cc3)CCCCC2)CC1
InChIInChI=1S/C21H27F3N4O3/c1-15(29)27-11-13-28(14-12-27)18(30)20(9-3-2-4-10-20)26-19(31)25-17-7-5-16(6-8-17)21(22,23)24/h5-8H,2-4,9-14H2,1H3,(H2,25,26,31)
InChIKeyLWSCZLLZUKOGBE-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.22
Rot. Bonds3

About 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 6487920) has the molecular formula C21H27F3N4O3 and a molecular weight of 440.47 g/mol. Its IUPAC name is 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID6487920
Molecular FormulaC21H27F3N4O3
Molecular Weight440.47 g/mol
Exact Mass440.20
IUPAC Name1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCN(C(=O)C2(NC(=O)Nc3ccc(C(F)(F)F)cc3)CCCCC2)CC1
InChIInChI=1S/C21H27F3N4O3/c1-15(29)27-11-13-28(14-12-27)18(30)20(9-3-2-4-10-20)26-19(31)25-17-7-5-16(6-8-17)21(22,23)24/h5-8H,2-4,9-14H2,1H3,(H2,25,26,31)
InChIKeyLWSCZLLZUKOGBE-UHFFFAOYSA-N
XLogP3.22
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

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CID 53393916
1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Leucinamide
CID 445369
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 45889074
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49780161
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
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566536

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 6487920) is 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea is CC(=O)N1CCN(C(=O)C2(NC(=O)Nc3ccc(C(F)(F)F)cc3)CCCCC2)CC1.
What is the InChIKey of 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is LWSCZLLZUKOGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O3/c1-15(29)27-11-13-28(14-12-27)18(30)20(9-3-2-4-10-20)26-19(31)25-17-7-5-16(6-8-17)21(22,23)24/h5-8H,2-4,9-14H2,1H3,(H2,25,26,31).
What are the key properties of 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 440.47 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-acetylpiperazine-1-carbonyl)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 6487920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).