1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea

C21H29F3N4O2 — CID 3804904

IUPAC1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCN1CCN(C(=O)C2(NC(=O)Nc3ccccc3C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C21H29F3N4O2/c1-2-27-12-14-28(15-13-27)18(29)20(10-6-3-7-11-20)26-19(30)25-17-9-5-4-8-16(17)21(22,23)24/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H2,25,26,30)
InChIKeyJZCZMDKHHYXHDA-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.69
Rot. Bonds4

About 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 3804904) has the molecular formula C21H29F3N4O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID3804904
Molecular FormulaC21H29F3N4O2
Molecular Weight426.48 g/mol
Exact Mass426.22
IUPAC Name1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCN1CCN(C(=O)C2(NC(=O)Nc3ccccc3C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C21H29F3N4O2/c1-2-27-12-14-28(15-13-27)18(29)20(10-6-3-7-11-20)26-19(30)25-17-9-5-4-8-16(17)21(22,23)24/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H2,25,26,30)
InChIKeyJZCZMDKHHYXHDA-UHFFFAOYSA-N
XLogP3.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 6487894
1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
CID 1444536
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 47090134
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389
ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxylate
CID 650262
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
1-[1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclohexyl]-3-(2-methylphenyl)urea
CID 1444537
1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81156235
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120
1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea
CID 6487848

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 3804904) is 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea is CCN1CCN(C(=O)C2(NC(=O)Nc3ccccc3C(F)(F)F)CCCCC2)CC1.
What is the InChIKey of 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is JZCZMDKHHYXHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N4O2/c1-2-27-12-14-28(15-13-27)18(29)20(10-6-3-7-11-20)26-19(30)25-17-9-5-4-8-16(17)21(22,23)24/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H2,25,26,30).
What are the key properties of 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 426.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylpiperazine-1-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 3804904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).