1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea

C18H27F3N4O — CID 47090134

IUPAC1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCN1CCN(CC(C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H27F3N4O/c1-3-24-8-10-25(11-9-24)13-14(2)12-22-17(26)23-16-7-5-4-6-15(16)18(19,20)21/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,26)
InChIKeyWUTYYUBTFWCBHS-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.10
Rot. Bonds6

About 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 47090134) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID47090134
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCN1CCN(CC(C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H27F3N4O/c1-3-24-8-10-25(11-9-24)13-14(2)12-22-17(26)23-16-7-5-4-6-15(16)18(19,20)21/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,26)
InChIKeyWUTYYUBTFWCBHS-UHFFFAOYSA-N
XLogP3.10
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356
1-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(5-fluoro-2-pyridinyl)urea
CID 99595837
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510
1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3804904
2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42952048
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62853226
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 47090134) is 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea is CCN1CCN(CC(C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is WUTYYUBTFWCBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-3-24-8-10-25(11-9-24)13-14(2)12-22-17(26)23-16-7-5-4-6-15(16)18(19,20)21/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 372.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 47090134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).