N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane

C172H198N22O20 — CID 157403683

IUPACN-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane
SMILESC.CC(=O)N[C@@H](Cc1cccc(-c2cccc(N)c2)c1)C(O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cccc(-c2cccnc2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cccc(-c2ccncc2)c1)C(O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)Nc1cccc(-c2cccc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1.CCc1cccc(-c2cccc(C[C@H](NC(C)=O)C(O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1.COc1cccc(-c2cccc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1
InChIInChI=1S/C30H34N4O4.C30H35N3O3.C29H33N3O4.C28H32N4O3.2C27H30N4O3.CH4/c1-20(35)32-26-13-7-12-25(18-26)24-11-6-10-23(16-24)17-27(33-21(2)36)29(37)28-30(38)34(15-14-31-28)19-22-8-4-3-5-9-22;1-3-22-11-7-13-25(17-22)26-14-8-12-24(18-26)19-27(32-21(2)34)29(35)28-30(36)33(16-15-31-28)20-23-9-5-4-6-10-23;1-20(33)31-26(17-22-10-6-11-23(16-22)24-12-7-13-25(18-24)36-2)28(34)27-29(35)32(15-14-30-27)19-21-8-4-3-5-9-21;1-19(33)31-25(16-21-9-5-10-22(15-21)23-11-6-12-24(29)17-23)27(34)26-28(35)32(14-13-30-26)18-20-7-3-2-4-8-20;1-19(32)30-24(16-21-9-5-10-22(15-21)23-11-6-12-28-17-23)26(33)25-27(34)31(14-13-29-25)18-20-7-3-2-4-8-20;1-19(32)30-24(17-21-8-5-9-23(16-21)22-10-12-28-13-11-22)26(33)25-27(34)31(15-14-29-25)18-20-6-3-2-4-7-20;/h3-13,16,18,27-29,31,37H,14-15,17,19H2,1-2H3,(H,32,35)(H,33,36);4-14,17-18,27-29,31,35H,3,15-16,19-20H2,1-2H3,(H,32,34);3-13,16,18,26-28,30,34H,14-15,17,19H2,1-2H3,(H,31,33);2-12,15,17,25-27,30,34H,13-14,16,18,29H2,1H3,(H,31,33);2-12,15,17,24-26,29,33H,13-14,16,18H2,1H3,(H,30,32);2-13,16,24-26,29,33H,14-15,17-18H2,1H3,(H,30,32);1H4/t27-,28-,29-;27-,28-,29?;26-,27-,28-;25-,26-,27?;24-,25-,26-;24-,25-,26?;/m000000./s1
InChIKeyBNLVCIJZRMUKGM-ARNVHVRESA-N
MW2893.61 g/mol
LogP16.11
Rot. Bonds51

About N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane

N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane (PubChem CID 157403683) has the molecular formula C172H198N22O20 and a molecular weight of 2893.61 g/mol. Its IUPAC name is N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane.

Molecular Properties

Compound NameN-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane
PubChem CID157403683
Molecular FormulaC172H198N22O20
Molecular Weight2893.61 g/mol
Exact Mass2891.52
IUPAC NameN-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane
SMILESC.CC(=O)N[C@@H](Cc1cccc(-c2cccc(N)c2)c1)C(O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cccc(-c2cccnc2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cccc(-c2ccncc2)c1)C(O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)Nc1cccc(-c2cccc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1.CCc1cccc(-c2cccc(C[C@H](NC(C)=O)C(O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1.COc1cccc(-c2cccc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1
InChIInChI=1S/C30H34N4O4.C30H35N3O3.C29H33N3O4.C28H32N4O3.2C27H30N4O3.CH4/c1-20(35)32-26-13-7-12-25(18-26)24-11-6-10-23(16-24)17-27(33-21(2)36)29(37)28-30(38)34(15-14-31-28)19-22-8-4-3-5-9-22;1-3-22-11-7-13-25(17-22)26-14-8-12-24(18-26)19-27(32-21(2)34)29(35)28-30(36)33(16-15-31-28)20-23-9-5-4-6-10-23;1-20(33)31-26(17-22-10-6-11-23(16-22)24-12-7-13-25(18-24)36-2)28(34)27-29(35)32(15-14-30-27)19-21-8-4-3-5-9-21;1-19(33)31-25(16-21-9-5-10-22(15-21)23-11-6-12-24(29)17-23)27(34)26-28(35)32(14-13-30-26)18-20-7-3-2-4-8-20;1-19(32)30-24(16-21-9-5-10-22(15-21)23-11-6-12-28-17-23)26(33)25-27(34)31(14-13-29-25)18-20-7-3-2-4-8-20;1-19(32)30-24(17-21-8-5-9-23(16-21)22-10-12-28-13-11-22)26(33)25-27(34)31(15-14-29-25)18-20-6-3-2-4-7-20;/h3-13,16,18,27-29,31,37H,14-15,17,19H2,1-2H3,(H,32,35)(H,33,36);4-14,17-18,27-29,31,35H,3,15-16,19-20H2,1-2H3,(H,32,34);3-13,16,18,26-28,30,34H,14-15,17,19H2,1-2H3,(H,31,33);2-12,15,17,25-27,30,34H,13-14,16,18,29H2,1H3,(H,31,33);2-12,15,17,24-26,29,33H,13-14,16,18H2,1H3,(H,30,32);2-13,16,24-26,29,33H,14-15,17-18H2,1H3,(H,30,32);1H4/t27-,28-,29-;27-,28-,29?;26-,27-,28-;25-,26-,27?;24-,25-,26-;24-,25-,26?;/m000000./s1
InChIKeyBNLVCIJZRMUKGM-ARNVHVRESA-N
XLogP16.11
TPSA580.15 Ų
H-Bond Donors20
H-Bond Acceptors29
Rotatable Bonds51
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002893.61
LogP ≤ 516.11
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane?
The IUPAC name of N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane (CID 157403683) is N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane.
What is the SMILES notation for N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane?
The canonical SMILES for N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane is C.CC(=O)N[C@@H](Cc1cccc(-c2cccc(N)c2)c1)C(O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cccc(-c2cccnc2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cccc(-c2ccncc2)c1)C(O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)Nc1cccc(-c2cccc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1.CCc1cccc(-c2cccc(C[C@H](NC(C)=O)C(O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1.COc1cccc(-c2cccc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)c1.
What is the InChIKey of N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane?
The InChIKey is BNLVCIJZRMUKGM-ARNVHVRESA-N. The full InChI is InChI=1S/C30H34N4O4.C30H35N3O3.C29H33N3O4.C28H32N4O3.2C27H30N4O3.CH4/c1-20(35)32-26-13-7-12-25(18-26)24-11-6-10-23(16-24)17-27(33-21(2)36)29(37)28-30(38)34(15-14-31-28)19-22-8-4-3-5-9-22;1-3-22-11-7-13-25(17-22)26-14-8-12-24(18-26)19-27(32-21(2)34)29(35)28-30(36)33(16-15-31-28)20-23-9-5-4-6-10-23;1-20(33)31-26(17-22-10-6-11-23(16-22)24-12-7-13-25(18-24)36-2)28(34)27-29(35)32(15-14-30-27)19-21-8-4-3-5-9-21;1-19(33)31-25(16-21-9-5-10-22(15-21)23-11-6-12-24(29)17-23)27(34)26-28(35)32(14-13-30-26)18-20-7-3-2-4-8-20;1-19(32)30-24(16-21-9-5-10-22(15-21)23-11-6-12-28-17-23)26(33)25-27(34)31(14-13-29-25)18-20-7-3-2-4-8-20;1-19(32)30-24(17-21-8-5-9-23(16-21)22-10-12-28-13-11-22)26(33)25-27(34)31(15-14-29-25)18-20-6-3-2-4-7-20;/h3-13,16,18,27-29,31,37H,14-15,17,19H2,1-2H3,(H,32,35)(H,33,36);4-14,17-18,27-29,31,35H,3,15-16,19-20H2,1-2H3,(H,32,34);3-13,16,18,26-28,30,34H,14-15,17,19H2,1-2H3,(H,31,33);2-12,15,17,25-27,30,34H,13-14,16,18,29H2,1H3,(H,31,33);2-12,15,17,24-26,29,33H,13-14,16,18H2,1H3,(H,30,32);2-13,16,24-26,29,33H,14-15,17-18H2,1H3,(H,30,32);1H4/t27-,28-,29-;27-,28-,29?;26-,27-,28-;25-,26-,27?;24-,25-,26-;24-,25-,26?;/m000000./s1.
What are the key properties of N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane?
N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane has a molecular weight of 2893.61 g/mol, XLogP of 16.11, 51 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane is sourced from PubChem (CID 157403683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).