2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide

C156H220F3N19O13 — CID 159130626

IUPAC2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(Cc2ccccc2)CC1.COc1cccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1.Cc1ccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1.O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1.O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2cccnc2)CC1.O=C(CC12CC3CC(CC(C3)C1)C2)NCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H41N3O2.C26H34F3N3O2.C26H37N3O3.2C26H37N3O2.C24H34N4O2/c1-20(2)26(27(33)31-10-8-30(9-11-31)19-21-6-4-3-5-7-21)29-25(32)18-28-15-22-12-23(16-28)14-24(13-22)17-28;27-26(28,29)22-4-2-1-3-21(22)17-31-5-7-32(8-6-31)24(34)16-30-23(33)15-25-12-18-9-19(13-25)11-20(10-18)14-25;1-32-23-4-2-3-19(12-23)18-28-5-7-29(8-6-28)25(31)17-27-24(30)16-26-13-20-9-21(14-26)11-22(10-20)15-26;1-19-2-4-20(5-3-19)18-28-6-8-29(9-7-28)25(31)17-27-24(30)16-26-13-21-10-22(14-26)12-23(11-21)15-26;30-24(18-26-15-21-12-22(16-26)14-23(13-21)17-26)27-7-6-25(31)29-10-8-28(9-11-29)19-20-4-2-1-3-5-20;29-22(14-24-11-19-8-20(12-24)10-21(9-19)13-24)26-16-23(30)28-6-4-27(5-7-28)17-18-2-1-3-25-15-18/h3-7,20,22-24,26H,8-19H2,1-2H3,(H,29,32);1-4,18-20H,5-17H2,(H,30,33);2-4,12,20-22H,5-11,13-18H2,1H3,(H,27,30);2-5,21-23H,6-18H2,1H3,(H,27,30);1-5,21-23H,6-19H2,(H,27,30);1-3,15,19-21H,4-14,16-17H2,(H,26,29)/t22?,23?,24?,26-,28?;;;;;/m1...../s1
InChIKeyKGVQMAVSPJTIIN-SNXYINOXSA-N
MW2626.59 g/mol
LogP20.47
Rot. Bonds39

About 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide

2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 159130626) has the molecular formula C156H220F3N19O13 and a molecular weight of 2626.59 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide
PubChem CID159130626
Molecular FormulaC156H220F3N19O13
Molecular Weight2626.59 g/mol
Exact Mass2624.71
IUPAC Name2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(Cc2ccccc2)CC1.COc1cccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1.Cc1ccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1.O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1.O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2cccnc2)CC1.O=C(CC12CC3CC(CC(C3)C1)C2)NCCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H41N3O2.C26H34F3N3O2.C26H37N3O3.2C26H37N3O2.C24H34N4O2/c1-20(2)26(27(33)31-10-8-30(9-11-31)19-21-6-4-3-5-7-21)29-25(32)18-28-15-22-12-23(16-28)14-24(13-22)17-28;27-26(28,29)22-4-2-1-3-21(22)17-31-5-7-32(8-6-31)24(34)16-30-23(33)15-25-12-18-9-19(13-25)11-20(10-18)14-25;1-32-23-4-2-3-19(12-23)18-28-5-7-29(8-6-28)25(31)17-27-24(30)16-26-13-20-9-21(14-26)11-22(10-20)15-26;1-19-2-4-20(5-3-19)18-28-6-8-29(9-7-28)25(31)17-27-24(30)16-26-13-21-10-22(14-26)12-23(11-21)15-26;30-24(18-26-15-21-12-22(16-26)14-23(13-21)17-26)27-7-6-25(31)29-10-8-28(9-11-29)19-20-4-2-1-3-5-20;29-22(14-24-11-19-8-20(12-24)10-21(9-19)13-24)26-16-23(30)28-6-4-27(5-7-28)17-18-2-1-3-25-15-18/h3-7,20,22-24,26H,8-19H2,1-2H3,(H,29,32);1-4,18-20H,5-17H2,(H,30,33);2-4,12,20-22H,5-11,13-18H2,1H3,(H,27,30);2-5,21-23H,6-18H2,1H3,(H,27,30);1-5,21-23H,6-19H2,(H,27,30);1-3,15,19-21H,4-14,16-17H2,(H,26,29)/t22?,23?,24?,26-,28?;;;;;/m1...../s1
InChIKeyKGVQMAVSPJTIIN-SNXYINOXSA-N
XLogP20.47
TPSA338.02 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002626.59
LogP ≤ 520.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide with MolForge

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Related Compounds

2,6-dimethyl-N-[3-[4-[(3-methylphenoxy)-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11433606
(3S,6S)-1-[(4-phenoxyphenyl)methyl]-6-[[piperidin-4-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 58941107
(3R)-2-[[1-(4-fluoro-3-methylphenyl)-3-(6-methyl-3-pyridinyl)propyl]amino]-3-[[(1R)-1-(3-methoxy-4-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N,N'-dimethyl-2,3-diphenylbutanediamide
CID 69090097
(3S,6S)-1-[(4-phenoxyphenyl)methyl]-6-[[(1-piperidin-4-yl-1-pyridin-3-ylethyl)amino]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 69512084
(3S,6S)-1-[(4-phenoxyphenyl)methyl]-6-[[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 140054368
(3S)-3-[5-[3-[[1-[(2R)-1-[[(1S)-2-carboxy-1-[5-[3-[[1-[(2S)-1-[[(1S)-2-carboxy-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxo-4-pyridinyl]methyl]-2-methoxy-6-methylphenyl]-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxo-4-pyridinyl]methyl]-2-methoxy-6-methylphenyl]-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 146189910
N-[(2R)-3-[4-[[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(6-methoxypyridin-3-yl)acetyl]amino]acetyl]amino]methyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 154618502
N-[3-[4-[[[2-cyclohexyl-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]acetyl]amino]methyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 155024789
N-[(2R)-3-[4-[[[2-cyclohexyl-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]acetyl]amino]methyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 155035720
(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(4-methoxyphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-phenylpentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-3-ylpentanamide
CID 157630651
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
(2R)-2-(5,5-dimethyl-2-oxopiperidin-1-yl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(2-methoxy-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
CID 158710621

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide (CID 159130626) is 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide is CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(Cc2ccccc2)CC1.COc1cccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1.Cc1ccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1.O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1.O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2cccnc2)CC1.O=C(CC12CC3CC(CC(C3)C1)C2)NCCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is KGVQMAVSPJTIIN-SNXYINOXSA-N. The full InChI is InChI=1S/C28H41N3O2.C26H34F3N3O2.C26H37N3O3.2C26H37N3O2.C24H34N4O2/c1-20(2)26(27(33)31-10-8-30(9-11-31)19-21-6-4-3-5-7-21)29-25(32)18-28-15-22-12-23(16-28)14-24(13-22)17-28;27-26(28,29)22-4-2-1-3-21(22)17-31-5-7-32(8-6-31)24(34)16-30-23(33)15-25-12-18-9-19(13-25)11-20(10-18)14-25;1-32-23-4-2-3-19(12-23)18-28-5-7-29(8-6-28)25(31)17-27-24(30)16-26-13-20-9-21(14-26)11-22(10-20)15-26;1-19-2-4-20(5-3-19)18-28-6-8-29(9-7-28)25(31)17-27-24(30)16-26-13-21-10-22(14-26)12-23(11-21)15-26;30-24(18-26-15-21-12-22(16-26)14-23(13-21)17-26)27-7-6-25(31)29-10-8-28(9-11-29)19-20-4-2-1-3-5-20;29-22(14-24-11-19-8-20(12-24)10-21(9-19)13-24)26-16-23(30)28-6-4-27(5-7-28)17-18-2-1-3-25-15-18/h3-7,20,22-24,26H,8-19H2,1-2H3,(H,29,32);1-4,18-20H,5-17H2,(H,30,33);2-4,12,20-22H,5-11,13-18H2,1H3,(H,27,30);2-5,21-23H,6-18H2,1H3,(H,27,30);1-5,21-23H,6-19H2,(H,27,30);1-3,15,19-21H,4-14,16-17H2,(H,26,29)/t22?,23?,24?,26-,28?;;;;;/m1...../s1.
What are the key properties of 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide?
2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 2626.59 g/mol, XLogP of 20.47, 39 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 159130626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).