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

C81H107Cl2N11O7 — CID 157313607

IUPAC1-[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
SMILESCOc1ccc(NC(=O)NCC(c2ccccc2OC)N2CCN(C3CCCCC3)CC2)cc1.COc1ccccc1C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.COc1ccccc1CCNCC(c1ccccc1OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H35N3O2.C27H38N4O3.C26H34Cl2N4O2/c1-32-27-14-8-6-10-23(27)16-17-29-22-26(25-13-7-9-15-28(25)33-2)31-20-18-30(19-21-31)24-11-4-3-5-12-24;1-33-23-14-12-21(13-15-23)29-27(32)28-20-25(24-10-6-7-11-26(24)34-2)31-18-16-30(17-19-31)22-8-4-3-5-9-22;1-34-25-10-6-5-9-23(25)24(18-29-26(33)30-21-16-19(27)15-20(28)17-21)32-13-11-31(12-14-32)22-7-3-2-4-8-22/h3-15,26,29H,16-22H2,1-2H3;6-7,10-15,22,25H,3-5,8-9,16-20H2,1-2H3,(H2,28,29,32);5-6,9-10,15-17,22,24H,2-4,7-8,11-14,18H2,1H3,(H2,29,30,33)
InChIKeyBDIFMDPPYLQCFL-UHFFFAOYSA-N
MW1417.72 g/mol
LogP14.73
Rot. Bonds25

About 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

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 (PubChem CID 157313607) has the molecular formula C81H107Cl2N11O7 and a molecular weight of 1417.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157313607
Molecular FormulaC81H107Cl2N11O7
Molecular Weight1417.72 g/mol
Exact Mass1415.77
IUPAC Name1-[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
SMILESCOc1ccc(NC(=O)NCC(c2ccccc2OC)N2CCN(C3CCCCC3)CC2)cc1.COc1ccccc1C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.COc1ccccc1CCNCC(c1ccccc1OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H35N3O2.C27H38N4O3.C26H34Cl2N4O2/c1-32-27-14-8-6-10-23(27)16-17-29-22-26(25-13-7-9-15-28(25)33-2)31-20-18-30(19-21-31)24-11-4-3-5-12-24;1-33-23-14-12-21(13-15-23)29-27(32)28-20-25(24-10-6-7-11-26(24)34-2)31-18-16-30(17-19-31)22-8-4-3-5-9-22;1-34-25-10-6-5-9-23(25)24(18-29-26(33)30-21-16-19(27)15-20(28)17-21)32-13-11-31(12-14-32)22-7-3-2-4-8-22/h3-15,26,29H,16-22H2,1-2H3;6-7,10-15,22,25H,3-5,8-9,16-20H2,1-2H3,(H2,28,29,32);5-6,9-10,15-17,22,24H,2-4,7-8,11-14,18H2,1H3,(H2,29,30,33)
InChIKeyBDIFMDPPYLQCFL-UHFFFAOYSA-N
XLogP14.73
TPSA159.88 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.72
LogP ≤ 514.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(4-methoxy-phenyl)-ethyl]-3-(3,5-dichloro-phenyl)-urea
CID 44387847
1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-3-(3,5-dichloro-phenyl)-urea
CID 44401155
(2S,4S)-4-N,4-N-dibenzyl-1-N-(3-chlorophenyl)-2-N-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-N-phenylpiperidine-1,2,4-tricarboxamide
CID 10372941
1-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-3-(4-methoxy-phenyl)-urea
CID 44401173
4-N,4-N-dibenzyl-1-N-(3-chlorophenyl)-2-N-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-N-phenylpiperidine-1,2,4-tricarboxamide
CID 19968477
4-[[5-chloro-2-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-(oxomethylidene)piperazin-1-yl]methoxy]phenyl]methyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 87920569
4-[[5-chloro-2-[[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-(oxomethylidene)piperazin-1-yl]methoxy]phenyl]methyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 87920571
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
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
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
1-Benzyl-3-(3-benzylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea;1-benzyl-1-(1-butylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-3-[4-(4-chlorophenoxy)phenyl]-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 161301133

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(NC(=O)NCC(c2ccccc2OC)N2CCN(C3CCCCC3)CC2)cc1.COc1ccccc1C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.COc1ccccc1CCNCC(c1ccccc1OC)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 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?
The InChIKey is BDIFMDPPYLQCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2.C27H38N4O3.C26H34Cl2N4O2/c1-32-27-14-8-6-10-23(27)16-17-29-22-26(25-13-7-9-15-28(25)33-2)31-20-18-30(19-21-31)24-11-4-3-5-12-24;1-33-23-14-12-21(13-15-23)29-27(32)28-20-25(24-10-6-7-11-26(24)34-2)31-18-16-30(17-19-31)22-8-4-3-5-9-22;1-34-25-10-6-5-9-23(25)24(18-29-26(33)30-21-16-19(27)15-20(28)17-21)32-13-11-31(12-14-32)22-7-3-2-4-8-22/h3-15,26,29H,16-22H2,1-2H3;6-7,10-15,22,25H,3-5,8-9,16-20H2,1-2H3,(H2,28,29,32);5-6,9-10,15-17,22,24H,2-4,7-8,11-14,18H2,1H3,(H2,29,30,33).
What are the key properties of 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?
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 has a molecular weight of 1417.72 g/mol, XLogP of 14.73, 25 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157313607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).