bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one

C118H189N15O13 — CID 162193789

IUPACbis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(CC(=O)N(C)Cc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(CC(=O)N(C)Cc3ccccc3)CC2)C1=O.CCC(CC)N(Cc1ccccc1)C(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.COc1cccc(OCC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)c1
InChIInChI=1S/C33H54N4O3.2C29H46N4O3.C27H43N3O4/c1-7-28(8-2)37(23-27-12-10-9-11-13-27)31(38)22-26-14-17-35(18-15-26)33(40)30(21-25(5)6)36-19-16-34-29(32(36)39)20-24(3)4;2*1-21(2)17-25-28(35)33(16-13-30-25)26(18-22(3)4)29(36)32-14-11-23(12-15-32)19-27(34)31(5)20-24-9-7-6-8-10-24;1-19(2)15-24-26(31)30(14-11-28-24)25(16-20(3)4)27(32)29-12-9-21(10-13-29)18-34-23-8-6-7-22(17-23)33-5/h9-13,24-26,28-30,34H,7-8,14-23H2,1-6H3;2*6-10,21-23,25-26,30H,11-20H2,1-5H3;6-8,17,19-21,24-25,28H,9-16,18H2,1-5H3/t29-,30-;2*25-,26-;24-,25-/m0000/s1
InChIKeyZQRBQBRIYLNYBJ-XYHDNDGTSA-N
MW2025.90 g/mol
LogP15.74
Rot. Bonds43

About bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one

bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 162193789) has the molecular formula C118H189N15O13 and a molecular weight of 2025.90 g/mol. Its IUPAC name is bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Namebis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID162193789
Molecular FormulaC118H189N15O13
Molecular Weight2025.90 g/mol
Exact Mass2024.46
IUPAC Namebis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(CC(=O)N(C)Cc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(CC(=O)N(C)Cc3ccccc3)CC2)C1=O.CCC(CC)N(Cc1ccccc1)C(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.COc1cccc(OCC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)c1
InChIInChI=1S/C33H54N4O3.2C29H46N4O3.C27H43N3O4/c1-7-28(8-2)37(23-27-12-10-9-11-13-27)31(38)22-26-14-17-35(18-15-26)33(40)30(21-25(5)6)36-19-16-34-29(32(36)39)20-24(3)4;2*1-21(2)17-25-28(35)33(16-13-30-25)26(18-22(3)4)29(36)32-14-11-23(12-15-32)19-27(34)31(5)20-24-9-7-6-8-10-24;1-19(2)15-24-26(31)30(14-11-28-24)25(16-20(3)4)27(32)29-12-9-21(10-13-29)18-34-23-8-6-7-22(17-23)33-5/h9-13,24-26,28-30,34H,7-8,14-23H2,1-6H3;2*6-10,21-23,25-26,30H,11-20H2,1-5H3;6-8,17,19-21,24-25,28H,9-16,18H2,1-5H3/t29-,30-;2*25-,26-;24-,25-/m0000/s1
InChIKeyZQRBQBRIYLNYBJ-XYHDNDGTSA-N
XLogP15.74
TPSA289.99 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds43
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.90
LogP ≤ 515.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[1-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685640
4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide
CID 138685600
propan-2-yl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate
CID 138749176
2-[3-[[1-[(2S)-2-[(3S)-4-acetyl-3-(2-methylpropyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]methoxy]phenyl]acetic acid
CID 138685988
2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685835
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685836
(3S)-1-[(2S)-1-[4-[(1-but-3-enylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 159062347
N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide
CID 138685784
2-[1-[4-methyl-2-[(3S)-2-oxo-3-propylpiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685539
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
(3S)-1-[(2S)-1-[3-[(dimethylamino)methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685278
(3S)-1-[(2S)-1-[3-(azetidin-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138748972

Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one (CID 162193789) is bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one is CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(CC(=O)N(C)Cc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(CC(=O)N(C)Cc3ccccc3)CC2)C1=O.CCC(CC)N(Cc1ccccc1)C(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.COc1cccc(OCC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)c1.
What is the InChIKey of bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is ZQRBQBRIYLNYBJ-XYHDNDGTSA-N. The full InChI is InChI=1S/C33H54N4O3.2C29H46N4O3.C27H43N3O4/c1-7-28(8-2)37(23-27-12-10-9-11-13-27)31(38)22-26-14-17-35(18-15-26)33(40)30(21-25(5)6)36-19-16-34-29(32(36)39)20-24(3)4;2*1-21(2)17-25-28(35)33(16-13-30-25)26(18-22(3)4)29(36)32-14-11-23(12-15-32)19-27(34)31(5)20-24-9-7-6-8-10-24;1-19(2)15-24-26(31)30(14-11-28-24)25(16-20(3)4)27(32)29-12-9-21(10-13-29)18-34-23-8-6-7-22(17-23)33-5/h9-13,24-26,28-30,34H,7-8,14-23H2,1-6H3;2*6-10,21-23,25-26,30H,11-20H2,1-5H3;6-8,17,19-21,24-25,28H,9-16,18H2,1-5H3/t29-,30-;2*25-,26-;24-,25-/m0000/s1.
What are the key properties of bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 2025.90 g/mol, XLogP of 15.74, 43 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide);N-benzyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 162193789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).