1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)

C82H114F2N12O8 — CID 158513035

IUPAC1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)
SMILESCC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1
InChIInChI=1S/C28H40N4O4.2C27H37FN4O2/c1-20(2)36-26-8-6-5-7-25(26)32-17-15-31(16-18-32)22-11-9-21(10-12-22)29-28(33)30-24-14-13-23(34-3)19-27(24)35-4;2*1-20(2)34-26-9-4-3-8-25(26)32-16-14-31(15-17-32)24-12-10-23(11-13-24)30-27(33)29-19-21-6-5-7-22(28)18-21/h5-8,13-14,19-22H,9-12,15-18H2,1-4H3,(H2,29,30,33);2*3-9,18,20,23-24H,10-17,19H2,1-2H3,(H2,29,30,33)
InChIKeyHLHHROBINJFZFT-UHFFFAOYSA-N
MW1433.89 g/mol
LogP13.84
Rot. Bonds22

About 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)

1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) (PubChem CID 158513035) has the molecular formula C82H114F2N12O8 and a molecular weight of 1433.89 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea).

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)
PubChem CID158513035
Molecular FormulaC82H114F2N12O8
Molecular Weight1433.89 g/mol
Exact Mass1432.89
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)
SMILESCC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1
InChIInChI=1S/C28H40N4O4.2C27H37FN4O2/c1-20(2)36-26-8-6-5-7-25(26)32-17-15-31(16-18-32)22-11-9-21(10-12-22)29-28(33)30-24-14-13-23(34-3)19-27(24)35-4;2*1-20(2)34-26-9-4-3-8-25(26)32-16-14-31(15-17-32)24-12-10-23(11-13-24)30-27(33)29-19-21-6-5-7-22(28)18-21/h5-8,13-14,19-22H,9-12,15-18H2,1-4H3,(H2,29,30,33);2*3-9,18,20,23-24H,10-17,19H2,1-2H3,(H2,29,30,33)
InChIKeyHLHHROBINJFZFT-UHFFFAOYSA-N
XLogP13.84
TPSA188.98 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001433.89
LogP ≤ 513.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) 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-Dimethoxyphenyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea
CID 16041090
1-(3-Fluorobenzyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea
CID 16041091
1-(2,4-Dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 14514739
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-phenylethyl]urea
CID 21994264
1-[6-(2,4-dimethoxyanilino)-1-methyl-2H-pyrimidin-4-yl]-3-[(3-fluorophenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 145016536
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;1-(2-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]urea;molecular hydrogen
CID 157747187
1-(2-Methoxy-5-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea)
CID 159895220
Bis(1-(3,5-difluorophenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea);1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 161454339
4-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 4354738
N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide
CID 5238210
N-(2,4-dimethoxyphenyl)-4-(3-fluorobenzyl)piperazine-1-carboxamide
CID 6466971
N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 6470432

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) (CID 158513035) is 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea).
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) is CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
The InChIKey is HLHHROBINJFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4.2C27H37FN4O2/c1-20(2)36-26-8-6-5-7-25(26)32-17-15-31(16-18-32)22-11-9-21(10-12-22)29-28(33)30-24-14-13-23(34-3)19-27(24)35-4;2*1-20(2)34-26-9-4-3-8-25(26)32-16-14-31(15-17-32)24-12-10-23(11-13-24)30-27(33)29-19-21-6-5-7-22(28)18-21/h5-8,13-14,19-22H,9-12,15-18H2,1-4H3,(H2,29,30,33);2*3-9,18,20,23-24H,10-17,19H2,1-2H3,(H2,29,30,33).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) has a molecular weight of 1433.89 g/mol, XLogP of 13.84, 22 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[(3-fluorophenyl)methyl]-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) is sourced from PubChem (CID 158513035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).