1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)

C83H117ClN12O9 — CID 161259279

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(C)c1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(C)c1
InChIInChI=1S/2C28H40N4O3.C27H37ClN4O3/c2*1-20(2)35-27-8-6-5-7-26(27)32-17-15-31(16-18-32)23-11-9-22(10-12-23)29-28(33)30-25-14-13-24(34-4)19-21(25)3;1-19(2)35-26-7-5-4-6-24(26)32-16-14-31(15-17-32)22-11-9-21(10-12-22)29-27(33)30-23-18-20(28)8-13-25(23)34-3/h2*5-8,13-14,19-20,22-23H,9-12,15-18H2,1-4H3,(H2,29,30,33);4-8,13,18-19,21-22H,9-12,14-17H2,1-3H3,(H2,29,30,33)
InChIKeyVCIMMABLADEZKL-UHFFFAOYSA-N
MW1462.38 g/mol
LogP15.48
Rot. Bonds21

About 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)

1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) (PubChem CID 161259279) has the molecular formula C83H117ClN12O9 and a molecular weight of 1462.38 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea).

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)
PubChem CID161259279
Molecular FormulaC83H117ClN12O9
Molecular Weight1462.38 g/mol
Exact Mass1460.88
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(C)c1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(C)c1
InChIInChI=1S/2C28H40N4O3.C27H37ClN4O3/c2*1-20(2)35-27-8-6-5-7-26(27)32-17-15-31(16-18-32)23-11-9-22(10-12-23)29-28(33)30-25-14-13-24(34-4)19-21(25)3;1-19(2)35-26-7-5-4-6-24(26)32-16-14-31(15-17-32)22-11-9-21(10-12-22)29-27(33)30-23-18-20(28)8-13-25(23)34-3/h2*5-8,13-14,19-20,22-23H,9-12,15-18H2,1-4H3,(H2,29,30,33);4-8,13,18-19,21-22H,9-12,14-17H2,1-3H3,(H2,29,30,33)
InChIKeyVCIMMABLADEZKL-UHFFFAOYSA-N
XLogP15.48
TPSA198.21 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001462.38
LogP ≤ 515.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) with MolForge

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Related Compounds

1-(5-Chloro-2-methoxyphenyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea
CID 16041451
2-amino-N-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-N-[(4-phenoxyphenyl)carbamoyl]acetamide
CID 22980317
4-[4-[(5-chloro-2-ethoxyphenyl)carbamoylamino]phenyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91044084
4-[4-[(5-chloro-2-ethoxyphenyl)carbamoylamino]phenyl]-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91378600
2-amino-N-[5-chloro-2-[2-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-N-[(4-phenoxyphenyl)carbamoyl]acetamide
CID 142644950
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
1-benzyl-3-(5-chloro-2-fluorophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea;[(3S,4S)-1-benzyl-4-[[3-(1,1-difluoroethyl)phenyl]carbamoylamino]piperidin-3-yl] acetate;1-benzyl-3-(4-methoxyphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 161114876
4-[4-[(5-chloro-2-ethoxyphenyl)carbamoylamino]phenyl]-N-(2-chloro-6-methylphenyl)piperazine-1-carboxamide
CID 11678300
1-(4-Methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 16041452
4-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 69450352
1-(2-Chloro-6-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 71017709
4-[4-[(5-chloro-2-ethoxyphenyl)carbamoylamino]phenyl]-N-(4-methoxy-2-methylphenyl)piperazine-1-carboxamide
CID 90701406

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) (CID 161259279) is 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea).
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) is COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(C)c1.COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
The InChIKey is VCIMMABLADEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H40N4O3.C27H37ClN4O3/c2*1-20(2)35-27-8-6-5-7-26(27)32-17-15-31(16-18-32)23-11-9-22(10-12-23)29-28(33)30-25-14-13-24(34-4)19-21(25)3;1-19(2)35-26-7-5-4-6-24(26)32-16-14-31(15-17-32)22-11-9-21(10-12-22)29-27(33)30-23-18-20(28)8-13-25(23)34-3/h2*5-8,13-14,19-20,22-23H,9-12,15-18H2,1-4H3,(H2,29,30,33);4-8,13,18-19,21-22H,9-12,14-17H2,1-3H3,(H2,29,30,33).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)?
1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) has a molecular weight of 1462.38 g/mol, XLogP of 15.48, 21 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(4-methoxy-2-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea) is sourced from PubChem (CID 161259279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).