4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine

C148H201ClF3N27O — CID 157137748

IUPAC4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
SMILES[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(Cl)c(NC(C)=O)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C22H27F3N4.C22H30N4.C22H33N3.2C21H28N4.C20H28ClN3O.C20H27N5/c1-20(2,3)21(16-26-4)10-13-28(14-11-21)15-17-5-7-18(8-6-17)19-9-12-29(27-19)22(23,24)25;1-21(2,3)22(17-23-4)11-14-26(15-12-22)16-18-6-8-19(9-7-18)20-10-13-25(5)24-20;1-21(2,3)22(18-23-4)11-15-24(16-12-22)17-19-7-9-20(10-8-19)25-13-5-6-14-25;1-20(2,3)21(17-22-4)10-14-24(15-11-21)16-18-6-8-19(9-7-18)25-13-5-12-23-25;1-20(2,3)21(16-22-4)9-12-24(13-10-21)15-18-5-7-19(8-6-18)25-14-11-23-17-25;1-15(25)23-18-12-16(6-7-17(18)21)13-24-10-8-20(9-11-24,14-22-5)19(2,3)4;1-19(2,3)20(14-21-4)9-11-24(12-10-20)13-17-5-7-18(8-6-17)25-16-22-15-23-25/h5-9,12H,10-11,13-16H2,1-3H3;6-10,13H,11-12,14-17H2,1-3,5H3;7-10H,5-6,11-18H2,1-3H3;5-9,12-13H,10-11,14-17H2,1-3H3;5-8,11,14,17H,9-10,12-13,15-16H2,1-3H3;6-7,12H,8-11,13-14H2,1-4H3,(H,23,25);5-8,15-16H,9-14H2,1-3H3
InChIKeyAJVCPMQOSGOSLH-UHFFFAOYSA-N
MW2466.87 g/mol
LogP32.54
Rot. Bonds28

About 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine

4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine (PubChem CID 157137748) has the molecular formula C148H201ClF3N27O and a molecular weight of 2466.87 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
PubChem CID157137748
Molecular FormulaC148H201ClF3N27O
Molecular Weight2466.87 g/mol
Exact Mass2464.61
IUPAC Name4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
SMILES[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(Cl)c(NC(C)=O)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C22H27F3N4.C22H30N4.C22H33N3.2C21H28N4.C20H28ClN3O.C20H27N5/c1-20(2,3)21(16-26-4)10-13-28(14-11-21)15-17-5-7-18(8-6-17)19-9-12-29(27-19)22(23,24)25;1-21(2,3)22(17-23-4)11-14-26(15-12-22)16-18-6-8-19(9-7-18)20-10-13-25(5)24-20;1-21(2,3)22(18-23-4)11-15-24(16-12-22)17-19-7-9-20(10-8-19)25-13-5-6-14-25;1-20(2,3)21(17-22-4)10-14-24(15-11-21)16-18-6-8-19(9-7-18)25-13-5-12-23-25;1-20(2,3)21(16-22-4)9-12-24(13-10-21)15-18-5-7-19(8-6-18)25-14-11-23-17-25;1-15(25)23-18-12-16(6-7-17(18)21)13-24-10-8-20(9-11-24,14-22-5)19(2,3)4;1-19(2,3)20(14-21-4)9-11-24(12-10-20)13-17-5-7-18(8-6-17)25-16-22-15-23-25/h5-9,12H,10-11,13-16H2,1-3H3;6-10,13H,11-12,14-17H2,1-3,5H3;7-10H,5-6,11-18H2,1-3H3;5-9,12-13H,10-11,14-17H2,1-3H3;5-8,11,14,17H,9-10,12-13,15-16H2,1-3H3;6-7,12H,8-11,13-14H2,1-4H3,(H,23,25);5-8,15-16H,9-14H2,1-3H3
InChIKeyAJVCPMQOSGOSLH-UHFFFAOYSA-N
XLogP32.54
TPSA187.53 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002466.87
LogP ≤ 532.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine with MolForge

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Related Compounds

N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-3-fluoro-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-ethyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 157457640
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-imidazol-1-ylcyclohexyl)methyl]pyrimidine;5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]aniline;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;8-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]spiro[4.5]decan-3-one;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 157740783
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-imidazol-1-ylcyclohexyl)methyl]pyrimidine;5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]aniline;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;8-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]spiro[4.5]decan-3-one;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 158103083
(2S)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 158377412
4-Tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;1-[4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]phenyl]benzimidazole;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
CID 159289675
4-Tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;1-[4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]phenyl]benzimidazole;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
CID 159350896
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[3-(dimethylamino)propyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyrazin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-(4-imidazo[1,2-a]pyridin-3-yltriazol-1-yl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 159862374
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide
CID 160919091
4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;N-[3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-5-fluorophenyl]methanesulfonamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
CID 161456155
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-imidazol-1-ylcyclohexyl)methyl]pyrimidine;5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]aniline;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;8-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]spiro[4.5]decan-3-one;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 161623521
1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone;N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;5-(6-chloro-1H-indazol-4-yl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 161698348
4-Tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;1-[4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]phenyl]benzimidazole;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
CID 162225212

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine (CID 157137748) is 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine is [C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-c3ccn(C(F)(F)F)n3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-c3ccn(C)n3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3cccn3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3ccnc3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(-n3cncn3)cc2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(Cl)c(NC(C)=O)c2)CC1.[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine?
The InChIKey is AJVCPMQOSGOSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4.C22H30N4.C22H33N3.2C21H28N4.C20H28ClN3O.C20H27N5/c1-20(2,3)21(16-26-4)10-13-28(14-11-21)15-17-5-7-18(8-6-17)19-9-12-29(27-19)22(23,24)25;1-21(2,3)22(17-23-4)11-14-26(15-12-22)16-18-6-8-19(9-7-18)20-10-13-25(5)24-20;1-21(2,3)22(18-23-4)11-15-24(16-12-22)17-19-7-9-20(10-8-19)25-13-5-6-14-25;1-20(2,3)21(17-22-4)10-14-24(15-11-21)16-18-6-8-19(9-7-18)25-13-5-12-23-25;1-20(2,3)21(16-22-4)9-12-24(13-10-21)15-18-5-7-19(8-6-18)25-14-11-23-17-25;1-15(25)23-18-12-16(6-7-17(18)21)13-24-10-8-20(9-11-24,14-22-5)19(2,3)4;1-19(2,3)20(14-21-4)9-11-24(12-10-20)13-17-5-7-18(8-6-17)25-16-22-15-23-25/h5-9,12H,10-11,13-16H2,1-3H3;6-10,13H,11-12,14-17H2,1-3,5H3;7-10H,5-6,11-18H2,1-3H3;5-9,12-13H,10-11,14-17H2,1-3H3;5-8,11,14,17H,9-10,12-13,15-16H2,1-3H3;6-7,12H,8-11,13-14H2,1-4H3,(H,23,25);5-8,15-16H,9-14H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine?
4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine has a molecular weight of 2466.87 g/mol, XLogP of 32.54, 28 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine is sourced from PubChem (CID 157137748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).