(3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride

C120H146Cl5N13O27 — CID 159511016

IUPAC(3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(=O)NCC(=O)NC(C)C(C)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(=O)OC(C)(C)C)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(C)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(N)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C28H34N4O7.C26H33N2O6.C23H27N2O5.C22H25N3O5.C21H25N2O4.5ClH/c1-19(20(2)33)30-24(34)16-29-26(35)22-12-9-14-31(17-22)18-39-28(37)32-15-8-7-13-23(32)25(27(36)38-3)21-10-5-4-6-11-21;1-26(2,3)34-23(29)20-13-10-15-27(17-20)18-33-25(31)28-16-9-8-14-21(28)22(24(30)32-4)19-11-6-5-7-12-19;1-17(26)19-11-8-13-24(15-19)16-30-23(28)25-14-7-6-12-20(25)21(22(27)29-2)18-9-4-3-5-10-18;1-29-21(27)19(16-8-3-2-4-9-16)18-11-5-6-13-25(18)22(28)30-15-24-12-7-10-17(14-24)20(23)26;1-26-20(24)19(17-10-4-2-5-11-17)18-12-6-9-15-23(18)21(25)27-16-22-13-7-3-8-14-22;;;;;/h4-6,9-12,14,17,19,23,25H,7-8,13,15-16,18H2,1-3H3,(H-,29,30,34,35);5-7,10-13,15,17,21-22H,8-9,14,16,18H2,1-4H3;3-5,8-11,13,15,20-21H,6-7,12,14,16H2,1-2H3;2-4,7-10,12,14,18-19H,5-6,11,13,15H2,1H3,(H-,23,26);2-5,7-8,10-11,13-14,18-19H,6,9,12,15-16H2,1H3;5*1H/q;2*+1;;+1;;;;;/p-3
InChIKeyBNTSYXJUTJFVIB-UHFFFAOYSA-K
MW2379.82 g/mol
LogP-1.50
Rot. Bonds33

About (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride

(3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride (PubChem CID 159511016) has the molecular formula C120H146Cl5N13O27 and a molecular weight of 2379.82 g/mol. Its IUPAC name is (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride.

Molecular Properties

Compound Name(3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride
PubChem CID159511016
Molecular FormulaC120H146Cl5N13O27
Molecular Weight2379.82 g/mol
Exact Mass2375.89
IUPAC Name(3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(=O)NCC(=O)NC(C)C(C)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(=O)OC(C)(C)C)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(C)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(N)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C28H34N4O7.C26H33N2O6.C23H27N2O5.C22H25N3O5.C21H25N2O4.5ClH/c1-19(20(2)33)30-24(34)16-29-26(35)22-12-9-14-31(17-22)18-39-28(37)32-15-8-7-13-23(32)25(27(36)38-3)21-10-5-4-6-11-21;1-26(2,3)34-23(29)20-13-10-15-27(17-20)18-33-25(31)28-16-9-8-14-21(28)22(24(30)32-4)19-11-6-5-7-12-19;1-17(26)19-11-8-13-24(15-19)16-30-23(28)25-14-7-6-12-20(25)21(22(27)29-2)18-9-4-3-5-10-18;1-29-21(27)19(16-8-3-2-4-9-16)18-11-5-6-13-25(18)22(28)30-15-24-12-7-10-17(14-24)20(23)26;1-26-20(24)19(17-10-4-2-5-11-17)18-12-6-9-15-23(18)21(25)27-16-22-13-7-3-8-14-22;;;;;/h4-6,9-12,14,17,19,23,25H,7-8,13,15-16,18H2,1-3H3,(H-,29,30,34,35);5-7,10-13,15,17,21-22H,8-9,14,16,18H2,1-4H3;3-5,8-11,13,15,20-21H,6-7,12,14,16H2,1-2H3;2-4,7-10,12,14,18-19H,5-6,11,13,15H2,1H3,(H-,23,26);2-5,7-8,10-11,13-14,18-19H,6,9,12,15-16H2,1H3;5*1H/q;2*+1;;+1;;;;;/p-3
InChIKeyBNTSYXJUTJFVIB-UHFFFAOYSA-K
XLogP-1.50
TPSA460.33 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002379.82
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride with MolForge

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Launch Full Analysis

Related Compounds

bis([(1R,2R)-2-azaniumyl-1,2-diphenylethyl]azanium);ethyl acetate;tetrakis(pyridine-3-carboxylate)
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Ethyl 5-[3-[[[2-[3,5-bis[2-[[[3-(5-ethoxycarbonyl-6-pyridin-2-ylpyridine-3-carbonyl)phenyl]methylamino]methyl]phenyl]phenyl]phenyl]methylamino]methyl]benzoyl]-2-pyridin-2-ylpyridine-3-carboxylate
CID 21259173
CID 58342249
CID 58342249
Diphenylmethyl 3-[4-[2-(4-tert-butoxycarbonylamidinobenzoyl)aminoethyl]-2,3-dioxopiperazin-1-yl]-3-(pyridin-3-yl)propionate
CID 70293118
Ethyl 2-[5-[3-[[[2-[3,5-bis[2-[[[3-[6-(3-ethoxycarbonyl-2-pyridinyl)pyridine-3-carbonyl]phenyl]methylamino]methyl]phenyl]phenyl]phenyl]methylamino]methyl]benzoyl]-2-pyridinyl]pyridine-3-carboxylate
CID 88227881
[3-[6-[3-[6-[4-[[3,5-Bis[(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]carbamoyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxycyclohexyl] 6-phenylpyridine-3-carboxylate
CID 134178894
6-[[[2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid;2-[[2-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl-(carboxymethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate;tert-butyl 2-[[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl]amino]acetate;methane
CID 157080560
CID 157290172
CID 157290172
N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide;butyl pyridine-3-carboxylate;ethyl 3-oxo-3-pyridin-4-ylpropanoate;N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide;ethyl pyridine-4-carboxylate;ethyl 2-pyridin-4-ylacetate;hexyl pyridine-3-carboxylate;N-(2-hydroxyethyl)pyridine-4-carboxamide;phenyl(pyridin-3-yl)methanone;prop-2-enyl pyridine-4-carboxylate;3-pyridin-3-ylpropan-1-ol
CID 157293539
benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 157372518
2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-[6-[[5-[2,6-bis[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoylamino]-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]amino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]hexanamide;2,6-diamino-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide;methanol;5-pyridin-3-ylpyridine-3-carboxylic acid;heptahydrochloride
CID 157418393
tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;N-[[4-[(2,6-difluorophenyl)methylcarbamoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoic acid;methyl 4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoate;methyl 4-[[(5-pentylpyridine-2-carbonyl)-piperidin-4-ylamino]methyl]benzoate;5-pentylpyridine-2-carboxylic acid
CID 157580367

Frequently Asked Questions

What is the IUPAC name of (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride?
The IUPAC name of (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride (CID 159511016) is (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride.
What is the SMILES notation for (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride?
The canonical SMILES for (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride is COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(=O)NCC(=O)NC(C)C(C)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(=O)OC(C)(C)C)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(C)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1cccc(C(N)=O)c1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC[n+]1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride?
The InChIKey is BNTSYXJUTJFVIB-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H34N4O7.C26H33N2O6.C23H27N2O5.C22H25N3O5.C21H25N2O4.5ClH/c1-19(20(2)33)30-24(34)16-29-26(35)22-12-9-14-31(17-22)18-39-28(37)32-15-8-7-13-23(32)25(27(36)38-3)21-10-5-4-6-11-21;1-26(2,3)34-23(29)20-13-10-15-27(17-20)18-33-25(31)28-16-9-8-14-21(28)22(24(30)32-4)19-11-6-5-7-12-19;1-17(26)19-11-8-13-24(15-19)16-30-23(28)25-14-7-6-12-20(25)21(22(27)29-2)18-9-4-3-5-10-18;1-29-21(27)19(16-8-3-2-4-9-16)18-11-5-6-13-25(18)22(28)30-15-24-12-7-10-17(14-24)20(23)26;1-26-20(24)19(17-10-4-2-5-11-17)18-12-6-9-15-23(18)21(25)27-16-22-13-7-3-8-14-22;;;;;/h4-6,9-12,14,17,19,23,25H,7-8,13,15-16,18H2,1-3H3,(H-,29,30,34,35);5-7,10-13,15,17,21-22H,8-9,14,16,18H2,1-4H3;3-5,8-11,13,15,20-21H,6-7,12,14,16H2,1-2H3;2-4,7-10,12,14,18-19H,5-6,11,13,15H2,1H3,(H-,23,26);2-5,7-8,10-11,13-14,18-19H,6,9,12,15-16H2,1H3;5*1H/q;2*+1;;+1;;;;;/p-3.
What are the key properties of (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride?
(3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride has a molecular weight of 2379.82 g/mol, XLogP of -1.50, 33 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl 1-[[2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carboxylate;(3-carbamoylpyridin-1-ium-1-yl)methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;[3-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]carbamoyl]pyridin-1-ium-1-yl]methyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;pentachloride is sourced from PubChem (CID 159511016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).