benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid

C147H230F3N15O39 — CID 161134862

IUPACbenzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCCC[C@H]3C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOC)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CN(CC=O)C(=O)OCc1ccccc1.CN(CCN1CCCC[C@H]1C(=O)O)C(=O)OCc1ccccc1.CNCCN1CCCC[C@H]1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC.COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1CCCCN1CCN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C59H81F3N6O12.C34H59N3O11.C26H53N3O9.C17H24N2O4.C11H13NO3/c1-5-67(6-2)50-18-19-52(51(43-50)53-42-47(20-21-63-53)56(70)64-44-45-12-9-15-49(40-45)59(60,61)62)65-57(71)46-13-10-14-48(41-46)58(72)66(3)23-24-68-22-8-7-16-54(68)55(69)17-11-25-74-28-29-76-32-33-78-36-37-80-39-38-79-35-34-77-31-30-75-27-26-73-4;1-36(34(39)48-30-31-8-4-3-5-9-31)13-14-37-12-7-6-10-32(37)33(38)35-11-15-41-18-19-43-22-23-45-26-27-47-29-28-46-25-24-44-21-20-42-17-16-40-2;1-27-6-9-29-8-4-3-5-25(29)26(30)28-7-10-32-13-14-34-17-18-36-21-22-38-24-23-37-20-19-35-16-15-33-12-11-31-2;1-18(17(22)23-13-14-7-3-2-4-8-14)11-12-19-10-6-5-9-15(19)16(20)21;1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h9-10,12-15,18-21,40-43,54H,5-8,11,16-17,22-39,44H2,1-4H3,(H,64,70)(H,65,71);3-5,8-9,32H,6-7,10-30H2,1-2H3,(H,35,38);25,27H,3-24H2,1-2H3,(H,28,30);2-4,7-8,15H,5-6,9-13H2,1H3,(H,20,21);2-6,8H,7,9H2,1H3/t54-;32-;25-;15-;/m0000./s1
InChIKeyUMQSXAZYGWVTHB-FXQLNHKISA-N
MW2888.52 g/mol
LogP13.41
Rot. Bonds107

About benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid

benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid (PubChem CID 161134862) has the molecular formula C147H230F3N15O39 and a molecular weight of 2888.52 g/mol. Its IUPAC name is benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Namebenzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid
PubChem CID161134862
Molecular FormulaC147H230F3N15O39
Molecular Weight2888.52 g/mol
Exact Mass2886.64
IUPAC Namebenzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCCC[C@H]3C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOC)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CN(CC=O)C(=O)OCc1ccccc1.CN(CCN1CCCC[C@H]1C(=O)O)C(=O)OCc1ccccc1.CNCCN1CCCC[C@H]1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC.COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1CCCCN1CCN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C59H81F3N6O12.C34H59N3O11.C26H53N3O9.C17H24N2O4.C11H13NO3/c1-5-67(6-2)50-18-19-52(51(43-50)53-42-47(20-21-63-53)56(70)64-44-45-12-9-15-49(40-45)59(60,61)62)65-57(71)46-13-10-14-48(41-46)58(72)66(3)23-24-68-22-8-7-16-54(68)55(69)17-11-25-74-28-29-76-32-33-78-36-37-80-39-38-79-35-34-77-31-30-75-27-26-73-4;1-36(34(39)48-30-31-8-4-3-5-9-31)13-14-37-12-7-6-10-32(37)33(38)35-11-15-41-18-19-43-22-23-45-26-27-47-29-28-46-25-24-44-21-20-42-17-16-40-2;1-27-6-9-29-8-4-3-5-25(29)26(30)28-7-10-32-13-14-34-17-18-36-21-22-38-24-23-37-20-19-35-16-15-33-12-11-31-2;1-18(17(22)23-13-14-7-3-2-4-8-14)11-12-19-10-6-5-9-15(19)16(20)21;1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h9-10,12-15,18-21,40-43,54H,5-8,11,16-17,22-39,44H2,1-4H3,(H,64,70)(H,65,71);3-5,8-9,32H,6-7,10-30H2,1-2H3,(H,35,38);25,27H,3-24H2,1-2H3,(H,28,30);2-4,7-8,15H,5-6,9-13H2,1H3,(H,20,21);2-6,8H,7,9H2,1H3/t54-;32-;25-;15-;/m0000./s1
InChIKeyUMQSXAZYGWVTHB-FXQLNHKISA-N
XLogP13.41
TPSA559.41 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds107
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002888.52
LogP ≤ 513.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid?
The IUPAC name of benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid (CID 161134862) is benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid is CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCCC[C@H]3C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOC)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.CN(CC=O)C(=O)OCc1ccccc1.CN(CCN1CCCC[C@H]1C(=O)O)C(=O)OCc1ccccc1.CNCCN1CCCC[C@H]1C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC.COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1CCCCN1CCN(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid?
The InChIKey is UMQSXAZYGWVTHB-FXQLNHKISA-N. The full InChI is InChI=1S/C59H81F3N6O12.C34H59N3O11.C26H53N3O9.C17H24N2O4.C11H13NO3/c1-5-67(6-2)50-18-19-52(51(43-50)53-42-47(20-21-63-53)56(70)64-44-45-12-9-15-49(40-45)59(60,61)62)65-57(71)46-13-10-14-48(41-46)58(72)66(3)23-24-68-22-8-7-16-54(68)55(69)17-11-25-74-28-29-76-32-33-78-36-37-80-39-38-79-35-34-77-31-30-75-27-26-73-4;1-36(34(39)48-30-31-8-4-3-5-9-31)13-14-37-12-7-6-10-32(37)33(38)35-11-15-41-18-19-43-22-23-45-26-27-47-29-28-46-25-24-44-21-20-42-17-16-40-2;1-27-6-9-29-8-4-3-5-25(29)26(30)28-7-10-32-13-14-34-17-18-36-21-22-38-24-23-37-20-19-35-16-15-33-12-11-31-2;1-18(17(22)23-13-14-7-3-2-4-8-14)11-12-19-10-6-5-9-15(19)16(20)21;1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h9-10,12-15,18-21,40-43,54H,5-8,11,16-17,22-39,44H2,1-4H3,(H,64,70)(H,65,71);3-5,8-9,32H,6-7,10-30H2,1-2H3,(H,35,38);25,27H,3-24H2,1-2H3,(H,28,30);2-4,7-8,15H,5-6,9-13H2,1H3,(H,20,21);2-6,8H,7,9H2,1H3/t54-;32-;25-;15-;/m0000./s1.
What are the key properties of benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid?
benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid has a molecular weight of 2888.52 g/mol, XLogP of 13.41, 107 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]piperidin-1-yl]ethyl]-N-methylcarbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[(2S)-2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoyl]piperidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide;(2S)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[2-(methylamino)ethyl]piperidine-2-carboxamide;(2S)-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 161134862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).