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

C132H206N38O21 — CID 158880111

IUPACN-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
SMILESCC(C)(C)CC(C)(C)NC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCn1ccnc1.CCCCNC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC.COC(=O)CNC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCc1ccccc1.NC(N)=NCCCC1NC(=O)C(C(=O)NC2CCCCC2)N(CC2CCCCC2)C1=O.NC(N)=NCCCC1NC(=O)C(C(=O)NC2CCCCC2)N(CC2CCCO2)C1=O.NC(N)=NCCCC1NC(=O)C(C(=O)NCc2ccccc2)N(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C29H32N6O3.C23H40N8O3.C22H38N6O3.C21H30N6O5.C20H34N6O4.C17H32N6O3/c30-29(31)32-17-9-16-24-28(38)35(19-22-14-7-8-15-23(22)21-12-5-2-6-13-21)25(27(37)34-24)26(36)33-18-20-10-3-1-4-11-20;1-22(2,3)14-23(4,5)29-19(33)17-18(32)28-16(8-6-9-27-21(24)25)20(34)31(17)12-7-11-30-13-10-26-15-30;23-22(24)25-13-7-12-17-21(31)28(14-15-8-3-1-4-9-15)18(20(30)27-17)19(29)26-16-10-5-2-6-11-16;1-32-16(28)13-25-18(29)17-19(30)26-15(10-5-11-24-21(22)23)20(31)27(17)12-6-9-14-7-3-2-4-8-14;21-20(22)23-10-4-9-15-19(29)26(12-14-8-5-11-30-14)16(18(28)25-15)17(27)24-13-6-2-1-3-7-13;1-3-5-9-20-14(24)13-15(25)22-12(8-7-10-21-17(18)19)16(26)23(13)11-6-4-2/h1-8,10-15,24-25H,9,16-19H2,(H,33,36)(H,34,37)(H4,30,31,32);10,13,15-17H,6-9,11-12,14H2,1-5H3,(H,28,32)(H,29,33)(H4,24,25,27);15-18H,1-14H2,(H,26,29)(H,27,30)(H4,23,24,25);2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,25,29)(H,26,30)(H4,22,23,24);13-16H,1-12H2,(H,24,27)(H,25,28)(H4,21,22,23);12-13H,3-11H2,1-2H3,(H,20,24)(H,22,25)(H4,18,19,21)
InChIKeyJCXUBEZQJQNILL-UHFFFAOYSA-N
MW2661.34 g/mol
LogP0.51
Rot. Bonds59

About 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

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 (PubChem CID 158880111) has the molecular formula C132H206N38O21 and a molecular weight of 2661.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID158880111
Molecular FormulaC132H206N38O21
Molecular Weight2661.34 g/mol
Exact Mass2659.62
IUPAC NameN-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
SMILESCC(C)(C)CC(C)(C)NC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCn1ccnc1.CCCCNC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC.COC(=O)CNC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCc1ccccc1.NC(N)=NCCCC1NC(=O)C(C(=O)NC2CCCCC2)N(CC2CCCCC2)C1=O.NC(N)=NCCCC1NC(=O)C(C(=O)NC2CCCCC2)N(CC2CCCO2)C1=O.NC(N)=NCCCC1NC(=O)C(C(=O)NCc2ccccc2)N(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C29H32N6O3.C23H40N8O3.C22H38N6O3.C21H30N6O5.C20H34N6O4.C17H32N6O3/c30-29(31)32-17-9-16-24-28(38)35(19-22-14-7-8-15-23(22)21-12-5-2-6-13-21)25(27(37)34-24)26(36)33-18-20-10-3-1-4-11-20;1-22(2,3)14-23(4,5)29-19(33)17-18(32)28-16(8-6-9-27-21(24)25)20(34)31(17)12-7-11-30-13-10-26-15-30;23-22(24)25-13-7-12-17-21(31)28(14-15-8-3-1-4-9-15)18(20(30)27-17)19(29)26-16-10-5-2-6-11-16;1-32-16(28)13-25-18(29)17-19(30)26-15(10-5-11-24-21(22)23)20(31)27(17)12-6-9-14-7-3-2-4-8-14;21-20(22)23-10-4-9-15-19(29)26(12-14-8-5-11-30-14)16(18(28)25-15)17(27)24-13-6-2-1-3-7-13;1-3-5-9-20-14(24)13-15(25)22-12(8-7-10-21-17(18)19)16(26)23(13)11-6-4-2/h1-8,10-15,24-25H,9,16-19H2,(H,33,36)(H,34,37)(H4,30,31,32);10,13,15-17H,6-9,11-12,14H2,1-5H3,(H,28,32)(H,29,33)(H4,24,25,27);15-18H,1-14H2,(H,26,29)(H,27,30)(H4,23,24,25);2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,25,29)(H,26,30)(H4,22,23,24);13-16H,1-12H2,(H,24,27)(H,25,28)(H4,21,22,23);12-13H,3-11H2,1-2H3,(H,20,24)(H,22,25)(H4,18,19,21)
InChIKeyJCXUBEZQJQNILL-UHFFFAOYSA-N
XLogP0.51
TPSA910.81 Ų
H-Bond Donors24
H-Bond Acceptors29
Rotatable Bonds59
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002661.34
LogP ≤ 50.51
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide
CID 18338631
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
2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10786515
1-(3-imidazol-1-ylpropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913905
1-ethyl-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111138855
2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-benzo[de]isoquinoline-1-carboxamide
CID 10765464
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
[2-[4-[[2-butyl-7-(4-imidazol-1-ylbutoxy)-4-methylbenzimidazol-1-yl]methyl]phenyl]phenyl] hydrogen carbonate;hydrate
CID 70051797
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
CID 125158263
3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 42699343

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)CC(C)(C)NC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCn1ccnc1.CCCCNC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC.COC(=O)CNC(=O)C1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCc1ccccc1.NC(N)=NCCCC1NC(=O)C(C(=O)NC2CCCCC2)N(CC2CCCCC2)C1=O.NC(N)=NCCCC1NC(=O)C(C(=O)NC2CCCCC2)N(CC2CCCO2)C1=O.NC(N)=NCCCC1NC(=O)C(C(=O)NCc2ccccc2)N(Cc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 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?
The InChIKey is JCXUBEZQJQNILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3.C23H40N8O3.C22H38N6O3.C21H30N6O5.C20H34N6O4.C17H32N6O3/c30-29(31)32-17-9-16-24-28(38)35(19-22-14-7-8-15-23(22)21-12-5-2-6-13-21)25(27(37)34-24)26(36)33-18-20-10-3-1-4-11-20;1-22(2,3)14-23(4,5)29-19(33)17-18(32)28-16(8-6-9-27-21(24)25)20(34)31(17)12-7-11-30-13-10-26-15-30;23-22(24)25-13-7-12-17-21(31)28(14-15-8-3-1-4-9-15)18(20(30)27-17)19(29)26-16-10-5-2-6-11-16;1-32-16(28)13-25-18(29)17-19(30)26-15(10-5-11-24-21(22)23)20(31)27(17)12-6-9-14-7-3-2-4-8-14;21-20(22)23-10-4-9-15-19(29)26(12-14-8-5-11-30-14)16(18(28)25-15)17(27)24-13-6-2-1-3-7-13;1-3-5-9-20-14(24)13-15(25)22-12(8-7-10-21-17(18)19)16(26)23(13)11-6-4-2/h1-8,10-15,24-25H,9,16-19H2,(H,33,36)(H,34,37)(H4,30,31,32);10,13,15-17H,6-9,11-12,14H2,1-5H3,(H,28,32)(H,29,33)(H4,24,25,27);15-18H,1-14H2,(H,26,29)(H,27,30)(H4,23,24,25);2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,25,29)(H,26,30)(H4,22,23,24);13-16H,1-12H2,(H,24,27)(H,25,28)(H4,21,22,23);12-13H,3-11H2,1-2H3,(H,20,24)(H,22,25)(H4,18,19,21).
What are the key properties of 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?
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 has a molecular weight of 2661.34 g/mol, XLogP of 0.51, 59 rotatable bonds, 24 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158880111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).