4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide

C89H123ClFN11O6 — CID 87787813

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccccc4C)CC3)CC2)cc1.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3cccc(F)c3)CC2)c1
InChIInChI=1S/C31H44N4O2.C30H41ClN4O2.C28H38FN3O2/c1-24-9-11-26(12-10-24)23-31(33(3)4)17-15-27(16-18-31)32-29(36)13-14-30(37)35-21-19-34(20-22-35)28-8-6-5-7-25(28)2;1-23-4-6-24(7-5-23)22-30(33(2)3)16-14-26(15-17-30)32-28(36)12-13-29(37)35-20-18-34(19-21-35)27-10-8-25(31)9-11-27;1-21-6-4-8-23(18-21)20-28(32(2)3)15-12-25(13-16-28)31-27(34)11-10-26(33)30-17-14-22-7-5-9-24(29)19-22/h5-12,27H,13-23H2,1-4H3,(H,32,36);4-11,26H,12-22H2,1-3H3,(H,32,36);4-9,18-19,25H,10-17,20H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyVEHZIYUCDHHUHW-UHFFFAOYSA-N
MW1497.48 g/mol
LogP13.19
Rot. Bonds26

About 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 87787813) has the molecular formula C89H123ClFN11O6 and a molecular weight of 1497.48 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID87787813
Molecular FormulaC89H123ClFN11O6
Molecular Weight1497.48 g/mol
Exact Mass1495.93
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccccc4C)CC3)CC2)cc1.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3cccc(F)c3)CC2)c1
InChIInChI=1S/C31H44N4O2.C30H41ClN4O2.C28H38FN3O2/c1-24-9-11-26(12-10-24)23-31(33(3)4)17-15-27(16-18-31)32-29(36)13-14-30(37)35-21-19-34(20-22-35)28-8-6-5-7-25(28)2;1-23-4-6-24(7-5-23)22-30(33(2)3)16-14-26(15-17-30)32-28(36)12-13-29(37)35-20-18-34(19-21-35)27-10-8-25(31)9-11-27;1-21-6-4-8-23(18-21)20-28(32(2)3)15-12-25(13-16-28)31-27(34)11-10-26(33)30-17-14-22-7-5-9-24(29)19-22/h5-12,27H,13-23H2,1-4H3,(H,32,36);4-11,26H,12-22H2,1-3H3,(H,32,36);4-9,18-19,25H,10-17,20H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyVEHZIYUCDHHUHW-UHFFFAOYSA-N
XLogP13.19
TPSA173.22 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.48
LogP ≤ 513.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide with MolForge

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
CID 66621500
N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide
CID 66621288
N'-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide
CID 11503701
N-[2-(4-chlorophenyl)ethyl]-N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]butanediamide
CID 66621254
N'-benzyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N'-methylbutanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(3,5-difluorophenyl)methyl]butanediamide;N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide
CID 173160930
4-(4-benzylpiperidin-1-yl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
CID 11555185
N-(2-benzylsulfanylethyl)-N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]butanediamide;N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[(2,4-difluorophenyl)methyl]butanediamide
CID 159097138
N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N-[2-(4-phenoxyphenyl)ethyl]butanediamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[(2,3-dimethylphenyl)methyl]butanediamide
CID 87788185
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447
N-[4-[(4-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-4-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
CID 11584854
N'-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]butanediamide
CID 87617114
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide (CID 87787813) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide is Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccccc4C)CC3)CC2)cc1.Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3cccc(F)c3)CC2)c1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is VEHZIYUCDHHUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O2.C30H41ClN4O2.C28H38FN3O2/c1-24-9-11-26(12-10-24)23-31(33(3)4)17-15-27(16-18-31)32-29(36)13-14-30(37)35-21-19-34(20-22-35)28-8-6-5-7-25(28)2;1-23-4-6-24(7-5-23)22-30(33(2)3)16-14-26(15-17-30)32-28(36)12-13-29(37)35-20-18-34(19-21-35)27-10-8-25(31)9-11-27;1-21-6-4-8-23(18-21)20-28(32(2)3)15-12-25(13-16-28)31-27(34)11-10-26(33)30-17-14-22-7-5-9-24(29)19-22/h5-12,27H,13-23H2,1-4H3,(H,32,36);4-11,26H,12-22H2,1-3H3,(H,32,36);4-9,18-19,25H,10-17,20H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 1497.48 g/mol, XLogP of 13.19, 26 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide;N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[2-(3-fluorophenyl)ethyl]butanediamide;N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 87787813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).