5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide

C143H172N18O18 — CID 162126684

IUPAC5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1C(=O)NCCN1C(=O)Cc1ccccc1.CCCCNC(=O)C1C(=O)NCCN1C(=O)CCc1ccccc1.O=C(NC1CCC(Cc2ccccc2)CC1)C1C(=O)NC(Cc2ccccc2)C(=O)N1CCCc1ccccc1.O=C(NCc1ccccc1)C1C(=O)NC2CCCCC2N1C(=O)C(c1ccccc1)c1ccccc1.O=C1NCCN(C(=O)C(c2ccccc2)c2ccccc2)C1C(=O)NCc1ccccc1.O=C1NCCN(C(=O)CC2CCCCC2)C1C(=O)NC1CCCCC1
InChIInChI=1S/C34H39N3O3.C30H31N3O3.C26H25N3O3.C19H31N3O3.C18H25N3O3.C16H21N3O3/c38-32(35-29-20-18-28(19-21-29)23-26-13-6-2-7-14-26)31-33(39)36-30(24-27-15-8-3-9-16-27)34(40)37(31)22-10-17-25-11-4-1-5-12-25;34-28(31-20-21-12-4-1-5-13-21)27-29(35)32-24-18-10-11-19-25(24)33(27)30(36)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23;30-24-23(25(31)28-18-19-10-4-1-5-11-19)29(17-16-27-24)26(32)22(20-12-6-2-7-13-20)21-14-8-3-9-15-21;23-16(13-14-7-3-1-4-8-14)22-12-11-20-18(24)17(22)19(25)21-15-9-5-2-6-10-15;1-2-3-11-19-17(23)16-18(24)20-12-13-21(16)15(22)10-9-14-7-5-4-6-8-14;1-11(2)18-16(22)14-15(21)17-8-9-19(14)13(20)10-12-6-4-3-5-7-12/h1-9,11-16,28-31H,10,17-24H2,(H,35,38)(H,36,39);1-9,12-17,24-27H,10-11,18-20H2,(H,31,34)(H,32,35);1-15,22-23H,16-18H2,(H,27,30)(H,28,31);14-15,17H,1-13H2,(H,20,24)(H,21,25);4-8,16H,2-3,9-13H2,1H3,(H,19,23)(H,20,24);3-7,11,14H,8-10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyZICXWNNZIGXORU-UHFFFAOYSA-N
MW2431.06 g/mol
LogP13.39
Rot. Bonds37

About 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide

5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 162126684) has the molecular formula C143H172N18O18 and a molecular weight of 2431.06 g/mol. Its IUPAC name is 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID162126684
Molecular FormulaC143H172N18O18
Molecular Weight2431.06 g/mol
Exact Mass2429.31
IUPAC Name5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1C(=O)NCCN1C(=O)Cc1ccccc1.CCCCNC(=O)C1C(=O)NCCN1C(=O)CCc1ccccc1.O=C(NC1CCC(Cc2ccccc2)CC1)C1C(=O)NC(Cc2ccccc2)C(=O)N1CCCc1ccccc1.O=C(NCc1ccccc1)C1C(=O)NC2CCCCC2N1C(=O)C(c1ccccc1)c1ccccc1.O=C1NCCN(C(=O)C(c2ccccc2)c2ccccc2)C1C(=O)NCc1ccccc1.O=C1NCCN(C(=O)CC2CCCCC2)C1C(=O)NC1CCCCC1
InChIInChI=1S/C34H39N3O3.C30H31N3O3.C26H25N3O3.C19H31N3O3.C18H25N3O3.C16H21N3O3/c38-32(35-29-20-18-28(19-21-29)23-26-13-6-2-7-14-26)31-33(39)36-30(24-27-15-8-3-9-16-27)34(40)37(31)22-10-17-25-11-4-1-5-12-25;34-28(31-20-21-12-4-1-5-13-21)27-29(35)32-24-18-10-11-19-25(24)33(27)30(36)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23;30-24-23(25(31)28-18-19-10-4-1-5-11-19)29(17-16-27-24)26(32)22(20-12-6-2-7-13-20)21-14-8-3-9-15-21;23-16(13-14-7-3-1-4-8-14)22-12-11-20-18(24)17(22)19(25)21-15-9-5-2-6-10-15;1-2-3-11-19-17(23)16-18(24)20-12-13-21(16)15(22)10-9-14-7-5-4-6-8-14;1-11(2)18-16(22)14-15(21)17-8-9-19(14)13(20)10-12-6-4-3-5-7-12/h1-9,11-16,28-31H,10,17-24H2,(H,35,38)(H,36,39);1-9,12-17,24-27H,10-11,18-20H2,(H,31,34)(H,32,35);1-15,22-23H,16-18H2,(H,27,30)(H,28,31);14-15,17H,1-13H2,(H,20,24)(H,21,25);4-8,16H,2-3,9-13H2,1H3,(H,19,23)(H,20,24);3-7,11,14H,8-10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyZICXWNNZIGXORU-UHFFFAOYSA-N
XLogP13.39
TPSA471.06 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds37
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002431.06
LogP ≤ 513.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide with MolForge

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Related Compounds

N-benzyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-4-methyl-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(2-phenylacetyl)-2,4-dihydroquinoxaline-2-carboxamide;N,4-dibenzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;methane
CID 160730936
5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide
CID 71162206
N-benzyl-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxo-1-[(2-phenylphenyl)methyl]piperazine-2-carboxamide;N-cyclohexyl-1-(cyclohexylmethyl)-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazine-2-carboxamide;N-cyclohexyl-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxo-1-(oxolan-2-ylmethyl)piperazine-2-carboxamide;5-[3-(diaminomethylideneamino)propyl]-1-(3-imidazol-1-ylpropyl)-3,6-dioxo-N-(2,4,4-trimethylpentan-2-yl)piperazine-2-carboxamide;N,1-dibutyl-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazine-2-carboxamide;methyl 2-[[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carbonyl]amino]acetate
CID 158880111
1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide
CID 18338631
6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide
CID 18338724
(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide
CID 95725760
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2S)-6-amino-N-[(2S)-1-[[(6S,9S,12S)-6-benzyl-9-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]amino]-1-oxo-6-(pentadecan-2-ylamino)hexan-2-yl]-2-[(2-cyclopropylacetyl)amino]hexanamide
CID 10124102

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide (CID 162126684) is 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide is CC(C)NC(=O)C1C(=O)NCCN1C(=O)Cc1ccccc1.CCCCNC(=O)C1C(=O)NCCN1C(=O)CCc1ccccc1.O=C(NC1CCC(Cc2ccccc2)CC1)C1C(=O)NC(Cc2ccccc2)C(=O)N1CCCc1ccccc1.O=C(NCc1ccccc1)C1C(=O)NC2CCCCC2N1C(=O)C(c1ccccc1)c1ccccc1.O=C1NCCN(C(=O)C(c2ccccc2)c2ccccc2)C1C(=O)NCc1ccccc1.O=C1NCCN(C(=O)CC2CCCCC2)C1C(=O)NC1CCCCC1.
What is the InChIKey of 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is ZICXWNNZIGXORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O3.C30H31N3O3.C26H25N3O3.C19H31N3O3.C18H25N3O3.C16H21N3O3/c38-32(35-29-20-18-28(19-21-29)23-26-13-6-2-7-14-26)31-33(39)36-30(24-27-15-8-3-9-16-27)34(40)37(31)22-10-17-25-11-4-1-5-12-25;34-28(31-20-21-12-4-1-5-13-21)27-29(35)32-24-18-10-11-19-25(24)33(27)30(36)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23;30-24-23(25(31)28-18-19-10-4-1-5-11-19)29(17-16-27-24)26(32)22(20-12-6-2-7-13-20)21-14-8-3-9-15-21;23-16(13-14-7-3-1-4-8-14)22-12-11-20-18(24)17(22)19(25)21-15-9-5-2-6-10-15;1-2-3-11-19-17(23)16-18(24)20-12-13-21(16)15(22)10-9-14-7-5-4-6-8-14;1-11(2)18-16(22)14-15(21)17-8-9-19(14)13(20)10-12-6-4-3-5-7-12/h1-9,11-16,28-31H,10,17-24H2,(H,35,38)(H,36,39);1-9,12-17,24-27H,10-11,18-20H2,(H,31,34)(H,32,35);1-15,22-23H,16-18H2,(H,27,30)(H,28,31);14-15,17H,1-13H2,(H,20,24)(H,21,25);4-8,16H,2-3,9-13H2,1H3,(H,19,23)(H,20,24);3-7,11,14H,8-10H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide?
5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 2431.06 g/mol, XLogP of 13.39, 37 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(4-benzylcyclohexyl)-3,6-dioxo-1-(3-phenylpropyl)piperazine-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide;N-benzyl-1-(2,2-diphenylacetyl)-3-oxopiperazine-2-carboxamide;N-butyl-3-oxo-1-(3-phenylpropanoyl)piperazine-2-carboxamide;N-cyclohexyl-1-(2-cyclohexylacetyl)-3-oxopiperazine-2-carboxamide;3-oxo-1-(2-phenylacetyl)-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 162126684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).