3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane

C145H190ClF5N24O18 — CID 157349057

IUPAC3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane
SMILESC.CC(F)(F)c1cc(C(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.COc1ccc(CC(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1OC.Cc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c1.O=C(Cc1ccccc1)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C37H45F5N6O4.C37H50N6O6.C35H45ClN6O4.C35H46N6O4.CH4/c1-36(38,39)26-19-25(20-27(21-26)37(40,41)42)33(50)43-31(34(51)47-17-9-28(10-18-47)45-13-5-2-6-14-45)22-32(49)46-15-11-29(12-16-46)48-23-24-7-3-4-8-30(24)44-35(48)52;1-48-32-11-10-26(22-33(32)49-2)23-34(44)38-31(36(46)42-20-12-28(13-21-42)40-16-6-3-7-17-40)24-35(45)41-18-14-29(15-19-41)43-25-27-8-4-5-9-30(27)39-37(43)47;1-24-19-26(21-27(36)20-24)33(44)37-31(34(45)41-17-9-28(10-18-41)39-13-5-2-6-14-39)22-32(43)40-15-11-29(12-16-40)42-23-25-7-3-4-8-30(25)38-35(42)46;42-32(23-26-9-3-1-4-10-26)36-31(34(44)40-21-13-28(14-22-40)38-17-7-2-8-18-38)24-33(43)39-19-15-29(16-20-39)41-25-27-11-5-6-12-30(27)37-35(41)45;/h3-4,7-8,19-21,28-29,31H,2,5-6,9-18,22-23H2,1H3,(H,43,50)(H,44,52);4-5,8-11,22,28-29,31H,3,6-7,12-21,23-25H2,1-2H3,(H,38,44)(H,39,47);3-4,7-8,19-21,28-29,31H,2,5-6,9-18,22-23H2,1H3,(H,37,44)(H,38,46);1,3-6,9-12,28-29,31H,2,7-8,13-25H2,(H,36,42)(H,37,45);1H4/t4*31-;/m0000./s1
InChIKeyBHHUHUXIWGDNKS-NKKLEHKMSA-N
MW2687.71 g/mol
LogP18.37
Rot. Bonds33

About 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane

3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane (PubChem CID 157349057) has the molecular formula C145H190ClF5N24O18 and a molecular weight of 2687.71 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane
PubChem CID157349057
Molecular FormulaC145H190ClF5N24O18
Molecular Weight2687.71 g/mol
Exact Mass2685.43
IUPAC Name3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane
SMILESC.CC(F)(F)c1cc(C(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.COc1ccc(CC(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1OC.Cc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c1.O=C(Cc1ccccc1)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C37H45F5N6O4.C37H50N6O6.C35H45ClN6O4.C35H46N6O4.CH4/c1-36(38,39)26-19-25(20-27(21-26)37(40,41)42)33(50)43-31(34(51)47-17-9-28(10-18-47)45-13-5-2-6-14-45)22-32(49)46-15-11-29(12-16-46)48-23-24-7-3-4-8-30(24)44-35(48)52;1-48-32-11-10-26(22-33(32)49-2)23-34(44)38-31(36(46)42-20-12-28(13-21-42)40-16-6-3-7-17-40)24-35(45)41-18-14-29(15-19-41)43-25-27-8-4-5-9-30(27)39-37(43)47;1-24-19-26(21-27(36)20-24)33(44)37-31(34(45)41-17-9-28(10-18-41)39-13-5-2-6-14-39)22-32(43)40-15-11-29(12-16-40)42-23-25-7-3-4-8-30(25)38-35(42)46;42-32(23-26-9-3-1-4-10-26)36-31(34(44)40-21-13-28(14-22-40)38-17-7-2-8-18-38)24-33(43)39-19-15-29(16-20-39)41-25-27-11-5-6-12-30(27)37-35(41)45;/h3-4,7-8,19-21,28-29,31H,2,5-6,9-18,22-23H2,1H3,(H,43,50)(H,44,52);4-5,8-11,22,28-29,31H,3,6-7,12-21,23-25H2,1-2H3,(H,38,44)(H,39,47);3-4,7-8,19-21,28-29,31H,2,5-6,9-18,22-23H2,1H3,(H,37,44)(H,38,46);1,3-6,9-12,28-29,31H,2,7-8,13-25H2,(H,36,42)(H,37,45);1H4/t4*31-;/m0000./s1
InChIKeyBHHUHUXIWGDNKS-NKKLEHKMSA-N
XLogP18.37
TPSA439.66 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002687.71
LogP ≤ 518.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane?
The IUPAC name of 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane (CID 157349057) is 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane.
What is the SMILES notation for 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane?
The canonical SMILES for 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane is C.CC(F)(F)c1cc(C(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.COc1ccc(CC(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1OC.Cc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c1.O=C(Cc1ccccc1)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane?
The InChIKey is BHHUHUXIWGDNKS-NKKLEHKMSA-N. The full InChI is InChI=1S/C37H45F5N6O4.C37H50N6O6.C35H45ClN6O4.C35H46N6O4.CH4/c1-36(38,39)26-19-25(20-27(21-26)37(40,41)42)33(50)43-31(34(51)47-17-9-28(10-18-47)45-13-5-2-6-14-45)22-32(49)46-15-11-29(12-16-46)48-23-24-7-3-4-8-30(24)44-35(48)52;1-48-32-11-10-26(22-33(32)49-2)23-34(44)38-31(36(46)42-20-12-28(13-21-42)40-16-6-3-7-17-40)24-35(45)41-18-14-29(15-19-41)43-25-27-8-4-5-9-30(27)39-37(43)47;1-24-19-26(21-27(36)20-24)33(44)37-31(34(45)41-17-9-28(10-18-41)39-13-5-2-6-14-39)22-32(43)40-15-11-29(12-16-40)42-23-25-7-3-4-8-30(25)38-35(42)46;42-32(23-26-9-3-1-4-10-26)36-31(34(44)40-21-13-28(14-22-40)38-17-7-2-8-18-38)24-33(43)39-19-15-29(16-20-39)41-25-27-11-5-6-12-30(27)37-35(41)45;/h3-4,7-8,19-21,28-29,31H,2,5-6,9-18,22-23H2,1H3,(H,43,50)(H,44,52);4-5,8-11,22,28-29,31H,3,6-7,12-21,23-25H2,1-2H3,(H,38,44)(H,39,47);3-4,7-8,19-21,28-29,31H,2,5-6,9-18,22-23H2,1H3,(H,37,44)(H,38,46);1,3-6,9-12,28-29,31H,2,7-8,13-25H2,(H,36,42)(H,37,45);1H4/t4*31-;/m0000./s1.
What are the key properties of 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane?
3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane has a molecular weight of 2687.71 g/mol, XLogP of 18.37, 33 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-methylbenzamide;3-(1,1-difluoroethyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-5-(trifluoromethyl)benzamide;2-(3,4-dimethoxyphenyl)-N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]acetamide;N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-2-phenylacetamide;methane is sourced from PubChem (CID 157349057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).