(2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate

C129H180N38O24 — CID 158594050

IUPAC(2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate
SMILESCc1cnc(C)c(N2CCC(CCC(=O)OCC(N)=O)CC2)n1.NC(=O)COC(=O)CCC1CCN(c2cc(-n3ccnc3)ncn2)CC1.NC(=O)COC(=O)CCC1CCN(c2cncc(N)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cnccn2)CC1.NC(=O)COC(=O)CCC1CCN(c2nccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cc(-n3ccnc3)ncn2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cncc(N)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H24N4O3.C18H24N6O3.C17H22N6O3.C16H24N4O3.C15H23N5O3.C15H22N4O3.C14H21N5O3.C14H20N4O3/c21-18(25)14-27-19(26)7-6-15-9-12-24(13-10-15)20-22-11-8-17(23-20)16-4-2-1-3-5-16;19-15(25)11-27-18(26)3-1-2-14-4-7-23(8-5-14)16-10-17(22-12-21-16)24-9-6-20-13-24;18-14(24)10-26-17(25)2-1-13-3-6-22(7-4-13)15-9-16(21-11-20-15)23-8-5-19-12-23;1-11-9-18-12(2)16(19-11)20-7-5-13(6-8-20)3-4-15(22)23-10-14(17)21;16-12-8-18-9-14(19-12)20-6-4-11(5-7-20)2-1-3-15(22)23-10-13(17)21;16-13(20)11-22-15(21)3-1-2-12-4-8-19(9-5-12)14-10-17-6-7-18-14;15-11-7-17-8-13(18-11)19-5-3-10(4-6-19)1-2-14(21)22-9-12(16)20;15-12(19)10-21-14(20)2-1-11-3-7-18(8-4-11)13-9-16-5-6-17-13/h1-5,8,11,15H,6-7,9-10,12-14H2,(H2,21,25);6,9-10,12-14H,1-5,7-8,11H2,(H2,19,25);5,8-9,11-13H,1-4,6-7,10H2,(H2,18,24);9,13H,3-8,10H2,1-2H3,(H2,17,21);8-9,11H,1-7,10H2,(H2,16,19)(H2,17,21);6-7,10,12H,1-5,8-9,11H2,(H2,16,20);7-8,10H,1-6,9H2,(H2,15,18)(H2,16,20);5-6,9,11H,1-4,7-8,10H2,(H2,15,19)
InChIKeyHUUKNZUSEPOYPK-UHFFFAOYSA-N
MW2647.10 g/mol
LogP7.00
Rot. Bonds54

About (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate

(2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate (PubChem CID 158594050) has the molecular formula C129H180N38O24 and a molecular weight of 2647.10 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate
PubChem CID158594050
Molecular FormulaC129H180N38O24
Molecular Weight2647.10 g/mol
Exact Mass2645.40
IUPAC Name(2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate
SMILESCc1cnc(C)c(N2CCC(CCC(=O)OCC(N)=O)CC2)n1.NC(=O)COC(=O)CCC1CCN(c2cc(-n3ccnc3)ncn2)CC1.NC(=O)COC(=O)CCC1CCN(c2cncc(N)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cnccn2)CC1.NC(=O)COC(=O)CCC1CCN(c2nccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cc(-n3ccnc3)ncn2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cncc(N)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H24N4O3.C18H24N6O3.C17H22N6O3.C16H24N4O3.C15H23N5O3.C15H22N4O3.C14H21N5O3.C14H20N4O3/c21-18(25)14-27-19(26)7-6-15-9-12-24(13-10-15)20-22-11-8-17(23-20)16-4-2-1-3-5-16;19-15(25)11-27-18(26)3-1-2-14-4-7-23(8-5-14)16-10-17(22-12-21-16)24-9-6-20-13-24;18-14(24)10-26-17(25)2-1-13-3-6-22(7-4-13)15-9-16(21-11-20-15)23-8-5-19-12-23;1-11-9-18-12(2)16(19-11)20-7-5-13(6-8-20)3-4-15(22)23-10-14(17)21;16-12-8-18-9-14(19-12)20-6-4-11(5-7-20)2-1-3-15(22)23-10-13(17)21;16-13(20)11-22-15(21)3-1-2-12-4-8-19(9-5-12)14-10-17-6-7-18-14;15-11-7-17-8-13(18-11)19-5-3-10(4-6-19)1-2-14(21)22-9-12(16)20;15-12(19)10-21-14(20)2-1-11-3-7-18(8-4-11)13-9-16-5-6-17-13/h1-5,8,11,15H,6-7,9-10,12-14H2,(H2,21,25);6,9-10,12-14H,1-5,7-8,11H2,(H2,19,25);5,8-9,11-13H,1-4,6-7,10H2,(H2,18,24);9,13H,3-8,10H2,1-2H3,(H2,17,21);8-9,11H,1-7,10H2,(H2,16,19)(H2,17,21);6-7,10,12H,1-5,8-9,11H2,(H2,16,20);7-8,10H,1-6,9H2,(H2,15,18)(H2,16,20);5-6,9,11H,1-4,7-8,10H2,(H2,15,19)
InChIKeyHUUKNZUSEPOYPK-UHFFFAOYSA-N
XLogP7.00
TPSA874.96 Ų
H-Bond Donors10
H-Bond Acceptors54
Rotatable Bonds54
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002647.10
LogP ≤ 57.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[4-[4-[(4-methoxycarbonylcyclohexanecarbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66837022
N-[4-[6-[[2-[[3-[(2,2-dimethyloxan-4-yl)methylamino]-5-[2-(pyrrolidine-3-carbonylamino)pyrimidin-4-yl]pyrazin-1-ium-1-yl]methyl]-2-methyloxan-4-yl]methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide
CID 123635559
ethyl 2-[1-[(2S)-2-[(3S)-3-[(5S)-6-(4-benzylpiperidin-1-yl)-5-[(3S)-3-[(7S)-2,5-dimethyl-7-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]-8-oxo-8-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]octyl]-2-oxopiperazin-1-yl]-2,3-dimethyl-6-oxohexyl]-2-oxopiperazin-1-yl]-6-[(2S)-4-[(2S)-4,7-dimethyl-8-[(2S)-4-[(2S)-4-methyl-1-oxo-1-[4-(2-phenylethyl)piperidin-1-yl]pentan-2-yl]-3-oxopiperazin-2-yl]-1-oxo-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]octan-2-yl]-3-oxopiperazin-2-yl]-4,5-dimethylhexanoyl]piperidin-4-yl]acetate
CID 138749089
[2-[[8-(7-azabicyclo[2.2.1]heptan-7-yl)-6-(oxetan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-methylmorpholin-2-yl)methanone
CID 139529544
(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;ethyl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 157159509
(2-Amino-2-oxoethyl) 4-[1-[6-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopropyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[4-fluoro-1-(3-methylphenyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-[6-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-propyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-pyridin-2-ylpiperidin-4-yl)butanoate
CID 157368609
azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride
CID 157499456
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-N-(2-piperazin-1-ylethyl)propanamide;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;2-methyl-N-(pyridin-2-ylmethyl)propanamide;bis(2-methyl-N-(pyridin-3-ylmethyl)propanamide);2-methyl-N-(pyrimidin-2-ylmethyl)propanamide;2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-pyrrolidin-3-ylpropanamide
CID 157932122
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-N-(2-piperazin-1-ylethyl)propanamide;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-N-(piperidin-4-ylmethyl)propanamide;2-methyl-N-piperidin-4-ylpropanamide;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;2-methyl-N-(pyridin-2-ylmethyl)propanamide;bis(2-methyl-N-(pyridin-3-ylmethyl)propanamide);2-methyl-N-(pyrimidin-2-ylmethyl)propanamide;2-methyl-N-pyrimidin-4-ylpropanamide;2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 158373986
lithium;deuterio(fluoro)methane;4-[[2-[2-methoxyethyl(methyl)amino]-7-methyl-8-oxopurin-9-yl]methyl]cyclohexane-1-carboxylate;4-[[2-[2-methoxyethyl(methyl)amino]-7-methyl-8-oxopurin-9-yl]methyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;pyridin-4-amine
CID 158777858
[(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butyl] 2-amino-4-methylpentanoate
CID 158807189
(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;ethyl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(2-phenylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 160192206

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate (CID 158594050) is (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate is Cc1cnc(C)c(N2CCC(CCC(=O)OCC(N)=O)CC2)n1.NC(=O)COC(=O)CCC1CCN(c2cc(-n3ccnc3)ncn2)CC1.NC(=O)COC(=O)CCC1CCN(c2cncc(N)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cnccn2)CC1.NC(=O)COC(=O)CCC1CCN(c2nccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cc(-n3ccnc3)ncn2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cncc(N)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cnccn2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate?
The InChIKey is HUUKNZUSEPOYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.C18H24N6O3.C17H22N6O3.C16H24N4O3.C15H23N5O3.C15H22N4O3.C14H21N5O3.C14H20N4O3/c21-18(25)14-27-19(26)7-6-15-9-12-24(13-10-15)20-22-11-8-17(23-20)16-4-2-1-3-5-16;19-15(25)11-27-18(26)3-1-2-14-4-7-23(8-5-14)16-10-17(22-12-21-16)24-9-6-20-13-24;18-14(24)10-26-17(25)2-1-13-3-6-22(7-4-13)15-9-16(21-11-20-15)23-8-5-19-12-23;1-11-9-18-12(2)16(19-11)20-7-5-13(6-8-20)3-4-15(22)23-10-14(17)21;16-12-8-18-9-14(19-12)20-6-4-11(5-7-20)2-1-3-15(22)23-10-13(17)21;16-13(20)11-22-15(21)3-1-2-12-4-8-19(9-5-12)14-10-17-6-7-18-14;15-11-7-17-8-13(18-11)19-5-3-10(4-6-19)1-2-14(21)22-9-12(16)20;15-12(19)10-21-14(20)2-1-11-3-7-18(8-4-11)13-9-16-5-6-17-13/h1-5,8,11,15H,6-7,9-10,12-14H2,(H2,21,25);6,9-10,12-14H,1-5,7-8,11H2,(H2,19,25);5,8-9,11-13H,1-4,6-7,10H2,(H2,18,24);9,13H,3-8,10H2,1-2H3,(H2,17,21);8-9,11H,1-7,10H2,(H2,16,19)(H2,17,21);6-7,10,12H,1-5,8-9,11H2,(H2,16,20);7-8,10H,1-6,9H2,(H2,15,18)(H2,16,20);5-6,9,11H,1-4,7-8,10H2,(H2,15,19).
What are the key properties of (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate?
(2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate has a molecular weight of 2647.10 g/mol, XLogP of 7.00, 54 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate is sourced from PubChem (CID 158594050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).