1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide

C169H231F2N25O18 — CID 161116656

IUPAC1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide
SMILESCC(=O)C(c1ccc(O)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCC(C(=O)NCCCCNc2ccccn2)CC1.CC(=O)CN1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)C(F)(F)C1.CC(=O)c1ccc(C(C=O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cc1.CCCC(=O)c1cccc(CC(C(C)=O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c1.CNc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1.Cc1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cn1
InChIInChI=1S/C32H43N3O3.C28H35N3O3.C27H35N3O3.C26H34N4O3.C20H28F2N4O2.2C18H28N4O2/c1-3-8-30(37)27-10-6-9-24(21-27)22-29(23(2)36)35-19-16-25(17-20-35)31(38)13-5-4-12-28-15-14-26-11-7-18-33-32(26)34-28;1-20(33)21-8-10-23(11-9-21)27(19-32)31-17-14-24(15-18-31)28(34)29-16-4-6-25-13-12-22-5-2-3-7-26(22)30-25;1-19(31)26(21-9-12-24(32)13-10-21)30-17-14-20(15-18-30)25(33)7-3-2-6-23-11-8-22-5-4-16-28-27(22)29-23;1-18-8-9-21(17-28-18)24(26(32)33)30-15-12-20(13-16-30)25(31)27-14-4-6-22-11-10-19-5-2-3-7-23(19)29-22;1-14(27)12-26-11-8-17(20(21,22)13-26)19(28)24-10-3-5-16-7-6-15-4-2-9-23-18(15)25-16;1-14(23)13-22-11-8-15(9-12-22)18(24)20-10-4-6-16-5-3-7-17(19-2)21-16;1-15(23)14-22-12-7-16(8-13-22)18(24)21-11-5-4-10-20-17-6-2-3-9-19-17/h6,9-10,14-15,21,25,29H,3-5,7-8,11-13,16-20,22H2,1-2H3,(H,33,34);8-13,19,24,27H,2-7,14-18H2,1H3,(H,29,34);8-13,20,26,32H,2-7,14-18H2,1H3,(H,28,29);8-11,17,20,24H,2-7,12-16H2,1H3,(H,27,31)(H,32,33);6-7,17H,2-5,8-13H2,1H3,(H,23,25)(H,24,28);3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,21)(H,20,24);2-3,6,9,16H,4-5,7-8,10-14H2,1H3,(H,19,20)(H,21,24)
InChIKeyUKKFROMRMMQUMK-UHFFFAOYSA-N
MW2938.86 g/mol
LogP22.40
Rot. Bonds63

About 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide

1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide (PubChem CID 161116656) has the molecular formula C169H231F2N25O18 and a molecular weight of 2938.86 g/mol. Its IUPAC name is 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide
PubChem CID161116656
Molecular FormulaC169H231F2N25O18
Molecular Weight2938.86 g/mol
Exact Mass2936.79
IUPAC Name1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide
SMILESCC(=O)C(c1ccc(O)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCC(C(=O)NCCCCNc2ccccn2)CC1.CC(=O)CN1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)C(F)(F)C1.CC(=O)c1ccc(C(C=O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cc1.CCCC(=O)c1cccc(CC(C(C)=O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c1.CNc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1.Cc1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cn1
InChIInChI=1S/C32H43N3O3.C28H35N3O3.C27H35N3O3.C26H34N4O3.C20H28F2N4O2.2C18H28N4O2/c1-3-8-30(37)27-10-6-9-24(21-27)22-29(23(2)36)35-19-16-25(17-20-35)31(38)13-5-4-12-28-15-14-26-11-7-18-33-32(26)34-28;1-20(33)21-8-10-23(11-9-21)27(19-32)31-17-14-24(15-18-31)28(34)29-16-4-6-25-13-12-22-5-2-3-7-26(22)30-25;1-19(31)26(21-9-12-24(32)13-10-21)30-17-14-20(15-18-30)25(33)7-3-2-6-23-11-8-22-5-4-16-28-27(22)29-23;1-18-8-9-21(17-28-18)24(26(32)33)30-15-12-20(13-16-30)25(31)27-14-4-6-22-11-10-19-5-2-3-7-23(19)29-22;1-14(27)12-26-11-8-17(20(21,22)13-26)19(28)24-10-3-5-16-7-6-15-4-2-9-23-18(15)25-16;1-14(23)13-22-11-8-15(9-12-22)18(24)20-10-4-6-16-5-3-7-17(19-2)21-16;1-15(23)14-22-12-7-16(8-13-22)18(24)21-11-5-4-10-20-17-6-2-3-9-19-17/h6,9-10,14-15,21,25,29H,3-5,7-8,11-13,16-20,22H2,1-2H3,(H,33,34);8-13,19,24,27H,2-7,14-18H2,1H3,(H,29,34);8-13,20,26,32H,2-7,14-18H2,1H3,(H,28,29);8-11,17,20,24H,2-7,12-16H2,1H3,(H,27,31)(H,32,33);6-7,17H,2-5,8-13H2,1H3,(H,23,25)(H,24,28);3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,21)(H,20,24);2-3,6,9,16H,4-5,7-8,10-14H2,1H3,(H,19,20)(H,21,24)
InChIKeyUKKFROMRMMQUMK-UHFFFAOYSA-N
XLogP22.40
TPSA559.68 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds63
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002938.86
LogP ≤ 522.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide (CID 161116656) is 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide is CC(=O)C(c1ccc(O)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCC(C(=O)NCCCCNc2ccccn2)CC1.CC(=O)CN1CCC(C(=O)NCCCc2ccc3c(n2)NCCC3)C(F)(F)C1.CC(=O)c1ccc(C(C=O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cc1.CCCC(=O)c1cccc(CC(C(C)=O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c1.CNc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1.Cc1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cn1.
What is the InChIKey of 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide?
The InChIKey is UKKFROMRMMQUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O3.C28H35N3O3.C27H35N3O3.C26H34N4O3.C20H28F2N4O2.2C18H28N4O2/c1-3-8-30(37)27-10-6-9-24(21-27)22-29(23(2)36)35-19-16-25(17-20-35)31(38)13-5-4-12-28-15-14-26-11-7-18-33-32(26)34-28;1-20(33)21-8-10-23(11-9-21)27(19-32)31-17-14-24(15-18-31)28(34)29-16-4-6-25-13-12-22-5-2-3-7-26(22)30-25;1-19(31)26(21-9-12-24(32)13-10-21)30-17-14-20(15-18-30)25(33)7-3-2-6-23-11-8-22-5-4-16-28-27(22)29-23;1-18-8-9-21(17-28-18)24(26(32)33)30-15-12-20(13-16-30)25(31)27-14-4-6-22-11-10-19-5-2-3-7-23(19)29-22;1-14(27)12-26-11-8-17(20(21,22)13-26)19(28)24-10-3-5-16-7-6-15-4-2-9-23-18(15)25-16;1-14(23)13-22-11-8-15(9-12-22)18(24)20-10-4-6-16-5-3-7-17(19-2)21-16;1-15(23)14-22-12-7-16(8-13-22)18(24)21-11-5-4-10-20-17-6-2-3-9-19-17/h6,9-10,14-15,21,25,29H,3-5,7-8,11-13,16-20,22H2,1-2H3,(H,33,34);8-13,19,24,27H,2-7,14-18H2,1H3,(H,29,34);8-13,20,26,32H,2-7,14-18H2,1H3,(H,28,29);8-11,17,20,24H,2-7,12-16H2,1H3,(H,27,31)(H,32,33);6-7,17H,2-5,8-13H2,1H3,(H,23,25)(H,24,28);3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,21)(H,20,24);2-3,6,9,16H,4-5,7-8,10-14H2,1H3,(H,19,20)(H,21,24).
What are the key properties of 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide?
1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide has a molecular weight of 2938.86 g/mol, XLogP of 22.40, 63 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-acetylphenyl)-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-[4-(pyridin-2-ylamino)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 161116656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).