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

C137H209N19O16 — CID 159216178

IUPACN-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)
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(COc3cccc(C#N)c3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(COc3cccc(C#N)c3)CC2)C1=O.COc1cccc(OCC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)c1.[C-]#[N+]c1ccccc1OCC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C29H46N4O3.3C27H40N4O3.C27H43N3O4/c1-21(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)16-23-26(32)31(15-12-29-23)24(17-20(3)4)27(33)30-13-10-21(11-14-30)18-34-25-9-7-6-8-22(25)28-5;2*1-19(2)14-24-26(32)31(13-10-29-24)25(15-20(3)4)27(33)30-11-8-21(9-12-30)18-34-23-7-5-6-22(16-23)17-28;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/h6-10,21-23,25-26,30H,11-20H2,1-5H3;6-9,19-21,23-24,29H,10-18H2,1-4H3;2*5-7,16,19-21,24-25,29H,8-15,18H2,1-4H3;6-8,17,19-21,24-25,28H,9-16,18H2,1-5H3/t25-,26-;23-,24-;3*24-,25-/m00000/s1
InChIKeyKRCFBLJDBVRFCO-BCXSYEKSSA-N
MW2378.30 g/mol
LogP18.10
Rot. Bonds47

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

N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile) (PubChem CID 159216178) has the molecular formula C137H209N19O16 and a molecular weight of 2378.30 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile).

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)
PubChem CID159216178
Molecular FormulaC137H209N19O16
Molecular Weight2378.30 g/mol
Exact Mass2376.61
IUPAC NameN-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)
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(COc3cccc(C#N)c3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(COc3cccc(C#N)c3)CC2)C1=O.COc1cccc(OCC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)c1.[C-]#[N+]c1ccccc1OCC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C29H46N4O3.3C27H40N4O3.C27H43N3O4/c1-21(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)16-23-26(32)31(15-12-29-23)24(17-20(3)4)27(33)30-13-10-21(11-14-30)18-34-25-9-7-6-8-22(25)28-5;2*1-19(2)14-24-26(32)31(13-10-29-24)25(15-20(3)4)27(33)30-11-8-21(9-12-30)18-34-23-7-5-6-22(16-23)17-28;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/h6-10,21-23,25-26,30H,11-20H2,1-5H3;6-9,19-21,23-24,29H,10-18H2,1-4H3;2*5-7,16,19-21,24-25,29H,8-15,18H2,1-4H3;6-8,17,19-21,24-25,28H,9-16,18H2,1-5H3/t25-,26-;23-,24-;3*24-,25-/m00000/s1
InChIKeyKRCFBLJDBVRFCO-BCXSYEKSSA-N
XLogP18.10
TPSA381.65 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds47
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.30
LogP ≤ 518.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile) 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-[(2S)-1-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)
CID 157360275
5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile
CID 158888182
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;3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile
CID 160244965
(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis((3S)-1-[(2S)-4-methyl-1-[4-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one);bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)
CID 160596254
(3S)-1-[(2S)-1-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-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;3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile
CID 160823144
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
(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;3-[[4-methyl-1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile;(3S)-1-[(2S)-4-methyl-1-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis((3S)-1-[(2S)-4-methyl-1-[4-[(4-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one);(3S)-1-[(2S)-4-methyl-1-[4-methyl-4-(phenoxymethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 164967469

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)?
The IUPAC name of N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile) (CID 159216178) is N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile).
What is the SMILES notation for N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)?
The canonical SMILES for N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile) 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(COc3cccc(C#N)c3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(COc3cccc(C#N)c3)CC2)C1=O.COc1cccc(OCC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)c1.[C-]#[N+]c1ccccc1OCC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)?
The InChIKey is KRCFBLJDBVRFCO-BCXSYEKSSA-N. The full InChI is InChI=1S/C29H46N4O3.3C27H40N4O3.C27H43N3O4/c1-21(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)16-23-26(32)31(15-12-29-23)24(17-20(3)4)27(33)30-13-10-21(11-14-30)18-34-25-9-7-6-8-22(25)28-5;2*1-19(2)14-24-26(32)31(13-10-29-24)25(15-20(3)4)27(33)30-11-8-21(9-12-30)18-34-23-7-5-6-22(16-23)17-28;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/h6-10,21-23,25-26,30H,11-20H2,1-5H3;6-9,19-21,23-24,29H,10-18H2,1-4H3;2*5-7,16,19-21,24-25,29H,8-15,18H2,1-4H3;6-8,17,19-21,24-25,28H,9-16,18H2,1-5H3/t25-,26-;23-,24-;3*24-,25-/m00000/s1.
What are the key properties of N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile)?
N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile) has a molecular weight of 2378.30 g/mol, XLogP of 18.10, 47 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide;(3S)-1-[(2S)-1-[4-[(2-isocyanophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis(3-[[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzonitrile) is sourced from PubChem (CID 159216178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).