N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C168H216F21N21O16 — CID 161314062

IUPACN-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(C#N)CN1CCC(N(C(=O)c2ccc(C(C)(O)C(F)(F)F)cc2)C2CC2)CC1.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C#N)CC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C#N)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C(N)=O)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC#N)CC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC#N)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC(N)=O)CCC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H34F3N3O3.C25H32F3N3O2.C24H32F3N3O3.2C24H30F3N3O2.C23H28F3N3O2.C23H30F3N3O2/c1-23(34,25(26,27)28)18-5-3-17(4-6-18)22(33)31(19-7-8-19)20-9-13-30(14-10-20)16-24(11-2-12-24)15-21(29)32;1-23(33,25(26,27)28)19-5-3-18(4-6-19)22(32)31(20-7-8-20)21-9-15-30(16-10-21)17-24(13-14-29)11-2-12-24;1-22(33,24(25,26)27)17-5-3-16(4-6-17)20(31)30(18-7-8-18)19-9-13-29(14-10-19)15-23(21(28)32)11-2-12-23;1-22(32,24(25,26)27)18-5-3-17(4-6-18)21(31)30(19-7-8-19)20-9-13-29(14-10-20)16-23(15-28)11-2-12-23;1-22(32,24(25,26)27)18-4-2-17(3-5-18)21(31)30(19-6-7-19)20-8-14-29(15-9-20)16-23(10-11-23)12-13-28;1-21(31,23(24,25)26)17-4-2-16(3-5-17)20(30)29(18-6-7-18)19-8-12-28(13-9-19)15-22(14-27)10-11-22;1-21(2,14-27)15-28-12-10-19(11-13-28)29(18-8-9-18)20(30)16-4-6-17(7-5-16)22(3,31)23(24,25)26/h3-6,19-20,34H,2,7-16H2,1H3,(H2,29,32);3-6,20-21,33H,2,7-13,15-17H2,1H3;3-6,18-19,33H,2,7-15H2,1H3,(H2,28,32);3-6,19-20,32H,2,7-14,16H2,1H3;2-5,19-20,32H,6-12,14-16H2,1H3;2-5,18-19,31H,6-13,15H2,1H3;4-7,18-19,31H,8-13,15H2,1-3H3
InChIKeyVJGOOAZZAXEHTQ-UHFFFAOYSA-N
MW3184.66 g/mol
LogP27.70
Rot. Bonds47

About N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 161314062) has the molecular formula C168H216F21N21O16 and a molecular weight of 3184.66 g/mol. Its IUPAC name is N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID161314062
Molecular FormulaC168H216F21N21O16
Molecular Weight3184.66 g/mol
Exact Mass3182.64
IUPAC NameN-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(C#N)CN1CCC(N(C(=O)c2ccc(C(C)(O)C(F)(F)F)cc2)C2CC2)CC1.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C#N)CC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C#N)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C(N)=O)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC#N)CC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC#N)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC(N)=O)CCC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H34F3N3O3.C25H32F3N3O2.C24H32F3N3O3.2C24H30F3N3O2.C23H28F3N3O2.C23H30F3N3O2/c1-23(34,25(26,27)28)18-5-3-17(4-6-18)22(33)31(19-7-8-19)20-9-13-30(14-10-20)16-24(11-2-12-24)15-21(29)32;1-23(33,25(26,27)28)19-5-3-18(4-6-19)22(32)31(20-7-8-20)21-9-15-30(16-10-21)17-24(13-14-29)11-2-12-24;1-22(33,24(25,26)27)17-5-3-16(4-6-17)20(31)30(18-7-8-18)19-9-13-29(14-10-19)15-23(21(28)32)11-2-12-23;1-22(32,24(25,26)27)18-5-3-17(4-6-18)21(31)30(19-7-8-19)20-9-13-29(14-10-20)16-23(15-28)11-2-12-23;1-22(32,24(25,26)27)18-4-2-17(3-5-18)21(31)30(19-6-7-19)20-8-14-29(15-9-20)16-23(10-11-23)12-13-28;1-21(31,23(24,25)26)17-4-2-16(3-5-17)20(30)29(18-6-7-18)19-8-12-28(13-9-19)15-22(14-27)10-11-22;1-21(2,14-27)15-28-12-10-19(11-13-28)29(18-8-9-18)20(30)16-4-6-17(7-5-16)22(3,31)23(24,25)26/h3-6,19-20,34H,2,7-16H2,1H3,(H2,29,32);3-6,20-21,33H,2,7-13,15-17H2,1H3;3-6,18-19,33H,2,7-15H2,1H3,(H2,28,32);3-6,19-20,32H,2,7-14,16H2,1H3;2-5,19-20,32H,6-12,14-16H2,1H3;2-5,18-19,31H,6-13,15H2,1H3;4-7,18-19,31H,8-13,15H2,1-3H3
InChIKeyVJGOOAZZAXEHTQ-UHFFFAOYSA-N
XLogP27.70
TPSA511.59 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds47
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003184.66
LogP ≤ 527.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide with MolForge

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Related Compounds

N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
CID 143594511
N-[1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25263223
N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1-fluoro-2-hydroxypropan-2-yl)benzamide
CID 70916661
N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
N-cyclopropyl-N-[1-[1-(hydroxymethyl)cyclopropyl]piperidin-4-yl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24859677
N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987480
N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
CID 143594524
N-(4-cyano-4-phenylcyclohexyl)-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 56667194
4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 24859815
N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59031016
N-cyclopropyl-N-(4-cyclopropyl-4-hydroxycyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 67251749
N-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25018786

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 161314062) is N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(C)(C#N)CN1CCC(N(C(=O)c2ccc(C(C)(O)C(F)(F)F)cc2)C2CC2)CC1.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C#N)CC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C#N)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C(N)=O)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC#N)CC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC#N)CCC3)CC2)cc1)C(F)(F)F.CC(O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(CC(N)=O)CCC3)CC2)cc1)C(F)(F)F.
What is the InChIKey of N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is VJGOOAZZAXEHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F3N3O3.C25H32F3N3O2.C24H32F3N3O3.2C24H30F3N3O2.C23H28F3N3O2.C23H30F3N3O2/c1-23(34,25(26,27)28)18-5-3-17(4-6-18)22(33)31(19-7-8-19)20-9-13-30(14-10-20)16-24(11-2-12-24)15-21(29)32;1-23(33,25(26,27)28)19-5-3-18(4-6-19)22(32)31(20-7-8-20)21-9-15-30(16-10-21)17-24(13-14-29)11-2-12-24;1-22(33,24(25,26)27)17-5-3-16(4-6-17)20(31)30(18-7-8-18)19-9-13-29(14-10-19)15-23(21(28)32)11-2-12-23;1-22(32,24(25,26)27)18-5-3-17(4-6-18)21(31)30(19-7-8-19)20-9-13-29(14-10-20)16-23(15-28)11-2-12-23;1-22(32,24(25,26)27)18-4-2-17(3-5-18)21(31)30(19-6-7-19)20-8-14-29(15-9-20)16-23(10-11-23)12-13-28;1-21(31,23(24,25)26)17-4-2-16(3-5-17)20(30)29(18-6-7-18)19-8-12-28(13-9-19)15-22(14-27)10-11-22;1-21(2,14-27)15-28-12-10-19(11-13-28)29(18-8-9-18)20(30)16-4-6-17(7-5-16)22(3,31)23(24,25)26/h3-6,19-20,34H,2,7-16H2,1H3,(H2,29,32);3-6,20-21,33H,2,7-13,15-17H2,1H3;3-6,18-19,33H,2,7-15H2,1H3,(H2,28,32);3-6,19-20,32H,2,7-14,16H2,1H3;2-5,19-20,32H,6-12,14-16H2,1H3;2-5,18-19,31H,6-13,15H2,1H3;4-7,18-19,31H,8-13,15H2,1-3H3.
What are the key properties of N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 3184.66 g/mol, XLogP of 27.70, 47 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-amino-2-oxoethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-carbamoylcyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclobutyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclobutyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;N-[1-(2-cyano-2-methylpropyl)piperidin-4-yl]-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 161314062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).