2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid

C198H252N24O24S — CID 157402837

IUPAC2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid
SMILESCC(=O)C(C)N1CCC(S(=O)(=O)NCCCc2ccc3c(n2)CCCC3)CC1.Cc1ccc(CNC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(CNC(=O)C2CCN(CC(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(C(C(=O)O)c3ccccc3)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(CC(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.O=C(O)C(c1ccccc1)N1CCC(NCCCc2ccc3c(n2)CCCC3)CC1.O=C(O)CN1CCC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)CC1=O
InChIInChI=1S/C30H33N3O3.C26H33N3O3.2C25H31N3O3.C25H33N3O2.C24H29N3O3.C22H29N3O4.C21H33N3O3S/c1-20-11-13-24(19-25(20)27-14-12-21-7-5-6-10-26(21)32-27)31-29(34)23-15-17-33(18-16-23)28(30(35)36)22-8-3-2-4-9-22;1-17-7-8-19(15-22(17)24-10-9-20-5-3-4-6-23(20)28-24)16-27-25(30)21-11-13-29(14-12-21)18(2)26(31)32;1-16-7-9-20(15-21(16)23-10-8-18-5-3-4-6-22(18)27-23)26-24(29)19-11-13-28(14-12-19)17(2)25(30)31;1-17-6-7-18(14-21(17)23-9-8-19-4-2-3-5-22(19)27-23)15-26-25(31)20-10-12-28(13-11-20)16-24(29)30;29-25(30)24(20-8-2-1-3-9-20)28-17-14-21(15-18-28)26-16-6-10-22-13-12-19-7-4-5-11-23(19)27-22;1-16-6-8-19(25-24(30)18-10-12-27(13-11-18)15-23(28)29)14-20(16)22-9-7-17-4-2-3-5-21(17)26-22;26-20-13-17(9-12-25(20)14-21(27)28)22(29)24-10-7-16(8-11-24)19-6-5-15-3-1-2-4-18(15)23-19;1-16(17(2)25)24-14-11-20(12-15-24)28(26,27)22-13-5-7-19-10-9-18-6-3-4-8-21(18)23-19/h2-4,8-9,11-14,19,23,28H,5-7,10,15-18H2,1H3,(H,31,34)(H,35,36);7-10,15,18,21H,3-6,11-14,16H2,1-2H3,(H,27,30)(H,31,32);7-10,15,17,19H,3-6,11-14H2,1-2H3,(H,26,29)(H,30,31);6-9,14,20H,2-5,10-13,15-16H2,1H3,(H,26,31)(H,29,30);1-3,8-9,12-13,21,24,26H,4-7,10-11,14-18H2,(H,29,30);6-9,14,18H,2-5,10-13,15H2,1H3,(H,25,30)(H,28,29);5-6,16-17H,1-4,7-14H2,(H,27,28);9-10,16,20,22H,3-8,11-15H2,1-2H3
InChIKeyBNJJFQFGXCNPKH-UHFFFAOYSA-N
MW3384.40 g/mol
LogP28.25
Rot. Bonds48

About 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid

2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid (PubChem CID 157402837) has the molecular formula C198H252N24O24S and a molecular weight of 3384.40 g/mol. Its IUPAC name is 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid
PubChem CID157402837
Molecular FormulaC198H252N24O24S
Molecular Weight3384.40 g/mol
Exact Mass3381.90
IUPAC Name2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid
SMILESCC(=O)C(C)N1CCC(S(=O)(=O)NCCCc2ccc3c(n2)CCCC3)CC1.Cc1ccc(CNC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(CNC(=O)C2CCN(CC(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(C(C(=O)O)c3ccccc3)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(CC(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.O=C(O)C(c1ccccc1)N1CCC(NCCCc2ccc3c(n2)CCCC3)CC1.O=C(O)CN1CCC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)CC1=O
InChIInChI=1S/C30H33N3O3.C26H33N3O3.2C25H31N3O3.C25H33N3O2.C24H29N3O3.C22H29N3O4.C21H33N3O3S/c1-20-11-13-24(19-25(20)27-14-12-21-7-5-6-10-26(21)32-27)31-29(34)23-15-17-33(18-16-23)28(30(35)36)22-8-3-2-4-9-22;1-17-7-8-19(15-22(17)24-10-9-20-5-3-4-6-23(20)28-24)16-27-25(30)21-11-13-29(14-12-21)18(2)26(31)32;1-16-7-9-20(15-21(16)23-10-8-18-5-3-4-6-22(18)27-23)26-24(29)19-11-13-28(14-12-19)17(2)25(30)31;1-17-6-7-18(14-21(17)23-9-8-19-4-2-3-5-22(19)27-23)15-26-25(31)20-10-12-28(13-11-20)16-24(29)30;29-25(30)24(20-8-2-1-3-9-20)28-17-14-21(15-18-28)26-16-6-10-22-13-12-19-7-4-5-11-23(19)27-22;1-16-6-8-19(25-24(30)18-10-12-27(13-11-18)15-23(28)29)14-20(16)22-9-7-17-4-2-3-5-21(17)26-22;26-20-13-17(9-12-25(20)14-21(27)28)22(29)24-10-7-16(8-11-24)19-6-5-15-3-1-2-4-18(15)23-19;1-16(17(2)25)24-14-11-20(12-15-24)28(26,27)22-13-5-7-19-10-9-18-6-3-4-8-21(18)23-19/h2-4,8-9,11-14,19,23,28H,5-7,10,15-18H2,1H3,(H,31,34)(H,35,36);7-10,15,18,21H,3-6,11-14,16H2,1-2H3,(H,27,30)(H,31,32);7-10,15,17,19H,3-6,11-14H2,1-2H3,(H,26,29)(H,30,31);6-9,14,20H,2-5,10-13,15-16H2,1H3,(H,26,31)(H,29,30);1-3,8-9,12-13,21,24,26H,4-7,10-11,14-18H2,(H,29,30);6-9,14,18H,2-5,10-13,15H2,1H3,(H,25,30)(H,28,29);5-6,16-17H,1-4,7-14H2,(H,27,28);9-10,16,20,22H,3-8,11-15H2,1-2H3
InChIKeyBNJJFQFGXCNPKH-UHFFFAOYSA-N
XLogP28.25
TPSA648.29 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds48
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003384.40
LogP ≤ 528.25
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid (CID 157402837) is 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid is CC(=O)C(C)N1CCC(S(=O)(=O)NCCCc2ccc3c(n2)CCCC3)CC1.Cc1ccc(CNC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(CNC(=O)C2CCN(CC(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(C(C(=O)O)c3ccccc3)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.Cc1ccc(NC(=O)C2CCN(CC(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.O=C(O)C(c1ccccc1)N1CCC(NCCCc2ccc3c(n2)CCCC3)CC1.O=C(O)CN1CCC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)CC1=O.
What is the InChIKey of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid?
The InChIKey is BNJJFQFGXCNPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3.C26H33N3O3.2C25H31N3O3.C25H33N3O2.C24H29N3O3.C22H29N3O4.C21H33N3O3S/c1-20-11-13-24(19-25(20)27-14-12-21-7-5-6-10-26(21)32-27)31-29(34)23-15-17-33(18-16-23)28(30(35)36)22-8-3-2-4-9-22;1-17-7-8-19(15-22(17)24-10-9-20-5-3-4-6-23(20)28-24)16-27-25(30)21-11-13-29(14-12-21)18(2)26(31)32;1-16-7-9-20(15-21(16)23-10-8-18-5-3-4-6-22(18)27-23)26-24(29)19-11-13-28(14-12-19)17(2)25(30)31;1-17-6-7-18(14-21(17)23-9-8-19-4-2-3-5-22(19)27-23)15-26-25(31)20-10-12-28(13-11-20)16-24(29)30;29-25(30)24(20-8-2-1-3-9-20)28-17-14-21(15-18-28)26-16-6-10-22-13-12-19-7-4-5-11-23(19)27-22;1-16-6-8-19(25-24(30)18-10-12-27(13-11-18)15-23(28)29)14-20(16)22-9-7-17-4-2-3-5-21(17)26-22;26-20-13-17(9-12-25(20)14-21(27)28)22(29)24-10-7-16(8-11-24)19-6-5-15-3-1-2-4-18(15)23-19;1-16(17(2)25)24-14-11-20(12-15-24)28(26,27)22-13-5-7-19-10-9-18-6-3-4-8-21(18)23-19/h2-4,8-9,11-14,19,23,28H,5-7,10,15-18H2,1H3,(H,31,34)(H,35,36);7-10,15,18,21H,3-6,11-14,16H2,1-2H3,(H,27,30)(H,31,32);7-10,15,17,19H,3-6,11-14H2,1-2H3,(H,26,29)(H,30,31);6-9,14,20H,2-5,10-13,15-16H2,1H3,(H,26,31)(H,29,30);1-3,8-9,12-13,21,24,26H,4-7,10-11,14-18H2,(H,29,30);6-9,14,18H,2-5,10-13,15H2,1H3,(H,25,30)(H,28,29);5-6,16-17H,1-4,7-14H2,(H,27,28);9-10,16,20,22H,3-8,11-15H2,1-2H3.
What are the key properties of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid?
2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid has a molecular weight of 3384.40 g/mol, XLogP of 28.25, 48 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 157402837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).