2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea

C112H160F3N13O4 — CID 162157933

IUPAC2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccccc1NC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C30H45N3.C28H41N3O.C27H35F3N4O2.C27H39N3O/c1-30(2,3)27-16-14-26(15-17-27)29(24-31-19-18-25-10-6-4-7-11-25)33-22-20-32(21-23-33)28-12-8-5-9-13-28;1-23-8-10-24(11-9-23)16-17-29-22-28(25-12-14-27(32-2)15-13-25)31-20-18-30(19-21-31)26-6-4-3-5-7-26;1-36-25-10-6-5-9-23(25)32-26(35)31-19-24(20-11-13-21(14-12-20)27(28,29)30)34-17-15-33(16-18-34)22-7-3-2-4-8-22;1-31-26-14-12-24(13-15-26)27(22-28-17-16-23-8-4-2-5-9-23)30-20-18-29(19-21-30)25-10-6-3-7-11-25/h4,6-7,10-11,14-17,28-29,31H,5,8-9,12-13,18-24H2,1-3H3;8-15,26,28-29H,3-7,16-22H2,1-2H3;5-6,9-14,22,24H,2-4,7-8,15-19H2,1H3,(H2,31,32,35);2,4-5,8-9,12-15,25,27-28H,3,6-7,10-11,16-22H2,1H3
InChIKeyZMBQVRGIQUNAOR-UHFFFAOYSA-N
MW1809.59 g/mol
LogP20.68
Rot. Bonds33

About 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea

2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 162157933) has the molecular formula C112H160F3N13O4 and a molecular weight of 1809.59 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea
PubChem CID162157933
Molecular FormulaC112H160F3N13O4
Molecular Weight1809.59 g/mol
Exact Mass1808.27
IUPAC Name2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccccc1NC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C30H45N3.C28H41N3O.C27H35F3N4O2.C27H39N3O/c1-30(2,3)27-16-14-26(15-17-27)29(24-31-19-18-25-10-6-4-7-11-25)33-22-20-32(21-23-33)28-12-8-5-9-13-28;1-23-8-10-24(11-9-23)16-17-29-22-28(25-12-14-27(32-2)15-13-25)31-20-18-30(19-21-31)26-6-4-3-5-7-26;1-36-25-10-6-5-9-23(25)32-26(35)31-19-24(20-11-13-21(14-12-20)27(28,29)30)34-17-15-33(16-18-34)22-7-3-2-4-8-22;1-31-26-14-12-24(13-15-26)27(22-28-17-16-23-8-4-2-5-9-23)30-20-18-29(19-21-30)25-10-6-3-7-11-25/h4,6-7,10-11,14-17,28-29,31H,5,8-9,12-13,18-24H2,1-3H3;8-15,26,28-29H,3-7,16-22H2,1-2H3;5-6,9-14,22,24H,2-4,7-8,15-19H2,1H3,(H2,31,32,35);2,4-5,8-9,12-15,25,27-28H,3,6-7,10-11,16-22H2,1H3
InChIKeyZMBQVRGIQUNAOR-UHFFFAOYSA-N
XLogP20.68
TPSA130.83 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.59
LogP ≤ 520.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea with MolForge

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Related Compounds

1-(2-Methoxy-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-urea
CID 44401160
1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-3-(2-methoxy-phenyl)-urea
CID 44401248
D4R agonist 24
CID 168510312
1-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-3-[[2-(4-phenylphenyl)phenyl]methyl]urea
CID 172442475
1-[2-(4-Tert-butylphenyl)phenyl]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 172452351
(1R,5S)-N-(2-methoxyphenyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
CID 60185248
4,15,20,31-Tetramethoxy-6,8,11,13,22,24,27,29-octaazaheptacyclo(28.2.2.2(2,5).2(8,11).2(14,17).2(18,21).2(24,27))tetratetraconta-1(32),2,4,14,16,18,20,30,33,37,39,43-dodecaene-7,12,23,28-tetrone
CID 235812
1-(3-fluorophenyl)-3-[[(2R,4S,5S)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 26742504
(3R,4R)-4-[4-(3,5-difluorophenyl)phenyl]-N-(3-methoxyphenyl)-3-[(3-methoxyphenyl)carbamoylamino]piperidine-1-carboxamide
CID 25115511
N-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide
CID 69454990
3-(3-Fluorophenyl)-1-[(3-fluorophenyl)carbamoyl]-1-[2-methoxy-5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]urea
CID 138460089
1-[[4-[3-Amino-2-methoxy-5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]-3-fluorophenyl]carbamoyl]-3-(3-fluorophenyl)-1-[2-methoxy-5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]urea
CID 138460233

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea (CID 162157933) is 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea is CC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccccc1NC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is ZMBQVRGIQUNAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3.C28H41N3O.C27H35F3N4O2.C27H39N3O/c1-30(2,3)27-16-14-26(15-17-27)29(24-31-19-18-25-10-6-4-7-11-25)33-22-20-32(21-23-33)28-12-8-5-9-13-28;1-23-8-10-24(11-9-23)16-17-29-22-28(25-12-14-27(32-2)15-13-25)31-20-18-30(19-21-31)26-6-4-3-5-7-26;1-36-25-10-6-5-9-23(25)32-26(35)31-19-24(20-11-13-21(14-12-20)27(28,29)30)34-17-15-33(16-18-34)22-7-3-2-4-8-22;1-31-26-14-12-24(13-15-26)27(22-28-17-16-23-8-4-2-5-9-23)30-20-18-29(19-21-30)25-10-6-3-7-11-25/h4,6-7,10-11,14-17,28-29,31H,5,8-9,12-13,18-24H2,1-3H3;8-15,26,28-29H,3-7,16-22H2,1-2H3;5-6,9-14,22,24H,2-4,7-8,15-19H2,1H3,(H2,31,32,35);2,4-5,8-9,12-15,25,27-28H,3,6-7,10-11,16-22H2,1H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea?
2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 1809.59 g/mol, XLogP of 20.68, 33 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 162157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).