1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid

C208H231N21O23S — CID 159366650

IUPAC1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCCCCCCC1(C(=O)O)CCN(CCOc2cccc(Nc3cc(C)nc4ccccc34)c2)CC1.Cc1cc(Nc2cc(OCCN3CCC(C(=O)O)(c4ccccc4)CC3)cc(-c3ccccc3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(C(=O)NCCN3CCC(C(=O)O)(c4ccccc4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C(=O)O)(C4CCCCC4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C(=O)O)(c4ccccc4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C)(C(=O)O)CC3)c2)c2ccccc2n1.O=C(O)C1(c2ccccc2)CCN(CCOc2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C36H35N3O3.C31H32N4O3.C30H37N3O3.C30H31N3O3.C30H39N3O3.C26H28N2O5S.C25H29N3O3/c1-26-22-34(32-14-8-9-15-33(32)37-26)38-30-23-28(27-10-4-2-5-11-27)24-31(25-30)42-21-20-39-18-16-36(17-19-39,35(40)41)29-12-6-3-7-13-29;1-22-20-28(26-12-5-6-13-27(26)33-22)34-25-11-7-8-23(21-25)29(36)32-16-19-35-17-14-31(15-18-35,30(37)38)24-9-3-2-4-10-24;2*1-22-20-28(26-12-5-6-13-27(26)31-22)32-24-10-7-11-25(21-24)36-19-18-33-16-14-30(15-17-33,29(34)35)23-8-3-2-4-9-23;1-3-4-5-8-14-30(29(34)35)15-17-33(18-16-30)19-20-36-25-11-9-10-24(22-25)32-28-21-23(2)31-27-13-7-6-12-26(27)28;29-25(30)26(21-8-3-1-4-9-21)14-16-28(17-15-26)18-19-33-23-11-7-10-22(20-23)27-34(31,32)24-12-5-2-6-13-24;1-18-16-23(21-8-3-4-9-22(21)26-18)27-19-6-5-7-20(17-19)31-15-14-28-12-10-25(2,11-13-28)24(29)30/h2-15,22-25H,16-21H2,1H3,(H,37,38)(H,40,41);2-13,20-21H,14-19H2,1H3,(H,32,36)(H,33,34)(H,37,38);5-7,10-13,20-21,23H,2-4,8-9,14-19H2,1H3,(H,31,32)(H,34,35);2-13,20-21H,14-19H2,1H3,(H,31,32)(H,34,35);6-7,9-13,21-22H,3-5,8,14-20H2,1-2H3,(H,31,32)(H,34,35);1-13,20,27H,14-19H2,(H,29,30);3-9,16-17H,10-15H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyLJFFFCKMJMTULE-UHFFFAOYSA-N
MW3425.33 g/mol
LogP40.42
Rot. Bonds61

About 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 159366650) has the molecular formula C208H231N21O23S and a molecular weight of 3425.33 g/mol. Its IUPAC name is 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID159366650
Molecular FormulaC208H231N21O23S
Molecular Weight3425.33 g/mol
Exact Mass3422.73
IUPAC Name1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCCCCCCC1(C(=O)O)CCN(CCOc2cccc(Nc3cc(C)nc4ccccc34)c2)CC1.Cc1cc(Nc2cc(OCCN3CCC(C(=O)O)(c4ccccc4)CC3)cc(-c3ccccc3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(C(=O)NCCN3CCC(C(=O)O)(c4ccccc4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C(=O)O)(C4CCCCC4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C(=O)O)(c4ccccc4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C)(C(=O)O)CC3)c2)c2ccccc2n1.O=C(O)C1(c2ccccc2)CCN(CCOc2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C36H35N3O3.C31H32N4O3.C30H37N3O3.C30H31N3O3.C30H39N3O3.C26H28N2O5S.C25H29N3O3/c1-26-22-34(32-14-8-9-15-33(32)37-26)38-30-23-28(27-10-4-2-5-11-27)24-31(25-30)42-21-20-39-18-16-36(17-19-39,35(40)41)29-12-6-3-7-13-29;1-22-20-28(26-12-5-6-13-27(26)33-22)34-25-11-7-8-23(21-25)29(36)32-16-19-35-17-14-31(15-18-35,30(37)38)24-9-3-2-4-10-24;2*1-22-20-28(26-12-5-6-13-27(26)31-22)32-24-10-7-11-25(21-24)36-19-18-33-16-14-30(15-17-33,29(34)35)23-8-3-2-4-9-23;1-3-4-5-8-14-30(29(34)35)15-17-33(18-16-30)19-20-36-25-11-9-10-24(22-25)32-28-21-23(2)31-27-13-7-6-12-26(27)28;29-25(30)26(21-8-3-1-4-9-21)14-16-28(17-15-26)18-19-33-23-11-7-10-22(20-23)27-34(31,32)24-12-5-2-6-13-24;1-18-16-23(21-8-3-4-9-22(21)26-18)27-19-6-5-7-20(17-19)31-15-14-28-12-10-25(2,11-13-28)24(29)30/h2-15,22-25H,16-21H2,1H3,(H,37,38)(H,40,41);2-13,20-21H,14-19H2,1H3,(H,32,36)(H,33,34)(H,37,38);5-7,10-13,20-21,23H,2-4,8-9,14-19H2,1H3,(H,31,32)(H,34,35);2-13,20-21H,14-19H2,1H3,(H,31,32)(H,34,35);6-7,9-13,21-22H,3-5,8,14-20H2,1-2H3,(H,31,32)(H,34,35);1-13,20,27H,14-19H2,(H,29,30);3-9,16-17H,10-15H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyLJFFFCKMJMTULE-UHFFFAOYSA-N
XLogP40.42
TPSA563.95 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds61
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003425.33
LogP ≤ 540.42
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid
CID 59644326
4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid
CID 59644216
4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid
CID 58958150
3-[(2-methylquinolin-4-yl)amino]-N-[2-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
CID 58958236
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958075
N-[2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958066
N,4-dibenzyl-N-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxamide
CID 59644209
[4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 59644218
3-(benzenesulfonamido)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide
CID 70512568
methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoyl]-5-[(2-methylquinolin-4-yl)amino]benzoate
CID 58958102
N-[3-[2-[4-(3,5-dimethylphenyl)-4-methylpiperidin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 71137961
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid (CID 159366650) is 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid is CCCCCCC1(C(=O)O)CCN(CCOc2cccc(Nc3cc(C)nc4ccccc34)c2)CC1.Cc1cc(Nc2cc(OCCN3CCC(C(=O)O)(c4ccccc4)CC3)cc(-c3ccccc3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(C(=O)NCCN3CCC(C(=O)O)(c4ccccc4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C(=O)O)(C4CCCCC4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C(=O)O)(c4ccccc4)CC3)c2)c2ccccc2n1.Cc1cc(Nc2cccc(OCCN3CCC(C)(C(=O)O)CC3)c2)c2ccccc2n1.O=C(O)C1(c2ccccc2)CCN(CCOc2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.
What is the InChIKey of 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is LJFFFCKMJMTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O3.C31H32N4O3.C30H37N3O3.C30H31N3O3.C30H39N3O3.C26H28N2O5S.C25H29N3O3/c1-26-22-34(32-14-8-9-15-33(32)37-26)38-30-23-28(27-10-4-2-5-11-27)24-31(25-30)42-21-20-39-18-16-36(17-19-39,35(40)41)29-12-6-3-7-13-29;1-22-20-28(26-12-5-6-13-27(26)33-22)34-25-11-7-8-23(21-25)29(36)32-16-19-35-17-14-31(15-18-35,30(37)38)24-9-3-2-4-10-24;2*1-22-20-28(26-12-5-6-13-27(26)31-22)32-24-10-7-11-25(21-24)36-19-18-33-16-14-30(15-17-33,29(34)35)23-8-3-2-4-9-23;1-3-4-5-8-14-30(29(34)35)15-17-33(18-16-30)19-20-36-25-11-9-10-24(22-25)32-28-21-23(2)31-27-13-7-6-12-26(27)28;29-25(30)26(21-8-3-1-4-9-21)14-16-28(17-15-26)18-19-33-23-11-7-10-22(20-23)27-34(31,32)24-12-5-2-6-13-24;1-18-16-23(21-8-3-4-9-22(21)26-18)27-19-6-5-7-20(17-19)31-15-14-28-12-10-25(2,11-13-28)24(29)30/h2-15,22-25H,16-21H2,1H3,(H,37,38)(H,40,41);2-13,20-21H,14-19H2,1H3,(H,32,36)(H,33,34)(H,37,38);5-7,10-13,20-21,23H,2-4,8-9,14-19H2,1H3,(H,31,32)(H,34,35);2-13,20-21H,14-19H2,1H3,(H,31,32)(H,34,35);6-7,9-13,21-22H,3-5,8,14-20H2,1-2H3,(H,31,32)(H,34,35);1-13,20,27H,14-19H2,(H,29,30);3-9,16-17H,10-15H2,1-2H3,(H,26,27)(H,29,30).
What are the key properties of 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 3425.33 g/mol, XLogP of 40.42, 61 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(benzenesulfonamido)phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;4-cyclohexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid;1-[2-[[3-[(2-methylquinolin-4-yl)amino]benzoyl]amino]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid;1-[2-[3-[(2-methylquinolin-4-yl)amino]-5-phenylphenoxy]ethyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 159366650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).