1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen

C118H171Cl2N15O4 — CID 159130059

IUPAC1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen
SMILESCN(C)c1ccc(NC(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1.COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(C2CCCCC2)CC1.O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[H][H].[H][H]
InChIInChI=1S/C31H47N5O.C31H47N3O.C31H41N3O.C25H32Cl2N4O.2H2/c1-31(2,3)25-13-11-24(12-14-25)29(36-21-19-35(20-22-36)28-9-7-6-8-10-28)23-32-30(37)33-26-15-17-27(18-16-26)34(4)5;1-31(2,3)27-16-14-25(15-17-27)29(24-32-19-18-26-10-8-9-13-30(26)35-4)34-22-20-33(21-23-34)28-11-6-5-7-12-28;1-31(2,3)27-14-12-26(13-15-27)30(24-32-19-18-25-10-16-29(35-4)17-11-25)34-22-20-33(21-23-34)28-8-6-5-7-9-28;26-20-15-21(27)17-22(16-20)29-25(32)28-18-24(19-7-3-1-4-8-19)31-13-11-30(12-14-31)23-9-5-2-6-10-23;;/h11-18,28-29H,6-10,19-23H2,1-5H3,(H2,32,33,37);8-10,13-17,28-29,32H,5-7,11-12,18-24H2,1-4H3;5-17,30,32H,18-24H2,1-4H3;1,3-4,7-8,15-17,23-24H,2,5-6,9-14,18H2,(H2,28,29,32);2*1H
InChIKeyKGTSIZSIWSJSEO-UHFFFAOYSA-N
MW1934.67 g/mol
LogP23.67
Rot. Bonds31

About 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen

1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen (PubChem CID 159130059) has the molecular formula C118H171Cl2N15O4 and a molecular weight of 1934.67 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen
PubChem CID159130059
Molecular FormulaC118H171Cl2N15O4
Molecular Weight1934.67 g/mol
Exact Mass1932.30
IUPAC Name1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen
SMILESCN(C)c1ccc(NC(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1.COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(C2CCCCC2)CC1.O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[H][H].[H][H]
InChIInChI=1S/C31H47N5O.C31H47N3O.C31H41N3O.C25H32Cl2N4O.2H2/c1-31(2,3)25-13-11-24(12-14-25)29(36-21-19-35(20-22-36)28-9-7-6-8-10-28)23-32-30(37)33-26-15-17-27(18-16-26)34(4)5;1-31(2,3)27-16-14-25(15-17-27)29(24-32-19-18-26-10-8-9-13-30(26)35-4)34-22-20-33(21-23-34)28-11-6-5-7-12-28;1-31(2,3)27-14-12-26(13-15-27)30(24-32-19-18-25-10-16-29(35-4)17-11-25)34-22-20-33(21-23-34)28-8-6-5-7-9-28;26-20-15-21(27)17-22(16-20)29-25(32)28-18-24(19-7-3-1-4-8-19)31-13-11-30(12-14-31)23-9-5-2-6-10-23;;/h11-18,28-29H,6-10,19-23H2,1-5H3,(H2,32,33,37);8-10,13-17,28-29,32H,5-7,11-12,18-24H2,1-4H3;5-17,30,32H,18-24H2,1-4H3;1,3-4,7-8,15-17,23-24H,2,5-6,9-14,18H2,(H2,28,29,32);2*1H
InChIKeyKGTSIZSIWSJSEO-UHFFFAOYSA-N
XLogP23.67
TPSA153.94 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.67
LogP ≤ 523.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-3-(3,5-dichloro-phenyl)-urea
CID 44401155
1-[(1R,2S)-2-[[(3S)-3-benzylpiperidin-1-yl]methyl]cyclohexyl]-3-(3-methanimidoylphenyl)urea;N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-phenylurea;molecular hydrogen
CID 157052635
1-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-cyanophenyl)urea;N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen
CID 158183810
2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen
CID 158735521
1-[2-(4-Tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-4-methylpentyl]-3-(3,5-dichlorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methoxyphenyl)urea;molecular hydrogen
CID 158953660
2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]ethanamine;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;1-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 160070004
1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-methylhexan-2-yl]-3-(3,5-dimethylphenyl)urea
CID 161498356
1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-methylhexan-2-yl]-3-(4-methylphenyl)urea
CID 161704646
N-[2-(4-tert-butylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)acetamide;1-(4-chlorophenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-4-methylpentyl]urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea;molecular hydrogen
CID 161975924
1-(3,5-Dichlorophenyl)-3-[4-[3-(dimethylamino)propylamino]-2-[4-(2-methoxyphenyl)phenyl]butyl]urea
CID 23567494
1-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(3,5-dichlorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)urea;2-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine
CID 157313607
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)ethanamine;1-(4-tert-butylphenyl)-3-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-phenylethanamine;molecular hydrogen
CID 158469434

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen (CID 159130059) is 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen is CN(C)c1ccc(NC(=O)NCC(c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(CCNCC(c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1.COc1ccccc1CCNCC(c1ccc(C(C)(C)C)cc1)N1CCN(C2CCCCC2)CC1.O=C(NCC(c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[H][H].[H][H].
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen?
The InChIKey is KGTSIZSIWSJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N5O.C31H47N3O.C31H41N3O.C25H32Cl2N4O.2H2/c1-31(2,3)25-13-11-24(12-14-25)29(36-21-19-35(20-22-36)28-9-7-6-8-10-28)23-32-30(37)33-26-15-17-27(18-16-26)34(4)5;1-31(2,3)27-16-14-25(15-17-27)29(24-32-19-18-26-10-8-9-13-30(26)35-4)34-22-20-33(21-23-34)28-11-6-5-7-12-28;1-31(2,3)27-14-12-26(13-15-27)30(24-32-19-18-25-10-16-29(35-4)17-11-25)34-22-20-33(21-23-34)28-8-6-5-7-9-28;26-20-15-21(27)17-22(16-20)29-25(32)28-18-24(19-7-3-1-4-8-19)31-13-11-30(12-14-31)23-9-5-2-6-10-23;;/h11-18,28-29H,6-10,19-23H2,1-5H3,(H2,32,33,37);8-10,13-17,28-29,32H,5-7,11-12,18-24H2,1-4H3;5-17,30,32H,18-24H2,1-4H3;1,3-4,7-8,15-17,23-24H,2,5-6,9-14,18H2,(H2,28,29,32);2*1H.
What are the key properties of 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen?
1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen has a molecular weight of 1934.67 g/mol, XLogP of 23.67, 31 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-[4-(dimethylamino)phenyl]urea;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(3,5-dichlorophenyl)urea;molecular hydrogen is sourced from PubChem (CID 159130059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).