N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen

C110H144F10N14O5 — CID 160749030

IUPACN-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen
SMILESCC(C)(C)c1ccc(C(CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNC(=O)Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1.O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C31H42F3N3O.C27H32F6N4O.C27H31N3O2.C25H33FN4O.3H2/c1-30(2,3)25-15-11-24(12-16-25)28(37-19-17-36(18-20-37)27-7-5-4-6-8-27)22-35-29(38)21-23-9-13-26(14-10-23)31(32,33)34;28-26(29,30)20-8-6-19(7-9-20)24(37-16-14-36(15-17-37)23-4-2-1-3-5-23)18-34-25(38)35-22-12-10-21(11-13-22)27(31,32)33;1-32-25-14-12-23(13-15-25)26(21-28-27(31)20-22-8-4-2-5-9-22)30-18-16-29(17-19-30)24-10-6-3-7-11-24;26-21-11-13-22(14-12-21)28-25(31)27-19-24(20-7-3-1-4-8-20)30-17-15-29(16-18-30)23-9-5-2-6-10-23;;;/h9-16,27-28H,4-8,17-22H2,1-3H3,(H,35,38);6-13,23-24H,1-5,14-18H2,(H2,34,35,38);2-15,26H,16-21H2,1H3,(H,28,31);1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2,(H2,27,28,31);3*1H
InChIKeyRWOLGJHHZUWDHR-UHFFFAOYSA-N
MW1932.43 g/mol
LogP22.18
Rot. Bonds27

About N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen

N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen (PubChem CID 160749030) has the molecular formula C110H144F10N14O5 and a molecular weight of 1932.43 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen
PubChem CID160749030
Molecular FormulaC110H144F10N14O5
Molecular Weight1932.43 g/mol
Exact Mass1931.13
IUPAC NameN-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen
SMILESCC(C)(C)c1ccc(C(CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNC(=O)Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1.O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C31H42F3N3O.C27H32F6N4O.C27H31N3O2.C25H33FN4O.3H2/c1-30(2,3)25-15-11-24(12-16-25)28(37-19-17-36(18-20-37)27-7-5-4-6-8-27)22-35-29(38)21-23-9-13-26(14-10-23)31(32,33)34;28-26(29,30)20-8-6-19(7-9-20)24(37-16-14-36(15-17-37)23-4-2-1-3-5-23)18-34-25(38)35-22-12-10-21(11-13-22)27(31,32)33;1-32-25-14-12-23(13-15-25)26(21-28-27(31)20-22-8-4-2-5-9-22)30-18-16-29(17-19-30)24-10-6-3-7-11-24;26-21-11-13-22(14-12-21)28-25(31)27-19-24(20-7-3-1-4-8-20)30-17-15-29(16-18-30)23-9-5-2-6-10-23;;;/h9-16,27-28H,4-8,17-22H2,1-3H3,(H,35,38);6-13,23-24H,1-5,14-18H2,(H2,34,35,38);2-15,26H,16-21H2,1H3,(H,28,31);1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2,(H2,27,28,31);3*1H
InChIKeyRWOLGJHHZUWDHR-UHFFFAOYSA-N
XLogP22.18
TPSA175.61 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001932.43
LogP ≤ 522.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen with MolForge

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]piperazine-1-carboxamide
CID 156018636
1-[(3R,4R)-4-[4-(3,5-difluorophenyl)phenyl]-1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]-3-(3-methoxyphenyl)urea
CID 25115509
3-[3-(4,4-Difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one
CID 91085403
[2-[4-[(4-Methoxyphenyl)methyl]piperazin-1-yl]-1,2-dihydroquinolin-6-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 117749726
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 142899247
ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 143739052
N-[(2R,3S)-3-[4-[[(2S)-2-(4,4-difluorocyclohexyl)-2-[[2,2-difluoro-2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 154618468
N-[3-[4-[[2-(4,4-difluorocyclohexyl)-2-[[2,2-difluoro-2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 155024781
1-[(4-Methoxyphenyl)methyl]-3-[4-[2-oxo-2-[3-(trifluoromethyl)piperazin-1-yl]ethyl]phenyl]urea
CID 156825179
1-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(4-fluorophenyl)urea;N,N-dimethyl-4-[5-(4-phenylpiperazin-1-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]aniline;2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide;molecular hydrogen
CID 157232024
(3S)-N-(1-benzylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3S)-3-N-(1-benzylpiperidin-4-yl)-2-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide;1-isocyanato-4-(trifluoromethoxy)benzene
CID 157273754
5-Benzyl-1,3-bis(3-methylphenyl)-1,3-diazinane-2,4,6-trione;1-benzyl-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1-[(4-tert-butylphenyl)methyl]-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-[(4-methylphenyl)methyl]-3,5-diphenyl-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione
CID 157546728

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen (CID 160749030) is N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen is CC(C)(C)c1ccc(C(CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNC(=O)Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1.O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen?
The InChIKey is RWOLGJHHZUWDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42F3N3O.C27H32F6N4O.C27H31N3O2.C25H33FN4O.3H2/c1-30(2,3)25-15-11-24(12-16-25)28(37-19-17-36(18-20-37)27-7-5-4-6-8-27)22-35-29(38)21-23-9-13-26(14-10-23)31(32,33)34;28-26(29,30)20-8-6-19(7-9-20)24(37-16-14-36(15-17-37)23-4-2-1-3-5-23)18-34-25(38)35-22-12-10-21(11-13-22)27(31,32)33;1-32-25-14-12-23(13-15-25)26(21-28-27(31)20-22-8-4-2-5-9-22)30-18-16-29(17-19-30)24-10-6-3-7-11-24;26-21-11-13-22(14-12-21)28-25(31)27-19-24(20-7-3-1-4-8-20)30-17-15-29(16-18-30)23-9-5-2-6-10-23;;;/h9-16,27-28H,4-8,17-22H2,1-3H3,(H,35,38);6-13,23-24H,1-5,14-18H2,(H2,34,35,38);2-15,26H,16-21H2,1H3,(H,28,31);1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2,(H2,27,28,31);3*1H.
What are the key properties of N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen?
N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen has a molecular weight of 1932.43 g/mol, XLogP of 22.18, 27 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen is sourced from PubChem (CID 160749030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).