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

C146H201ClF4N26O3S — CID 161456155

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;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
SMILES[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cc(F)cc(NS(C)(=O)=O)c2)CC1.[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(-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.C21H28N4.C20H28ClN3O.C20H27N5.C19H28FN3O2S/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(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;1-18(2,3)19(14-21-4)6-8-23(9-7-19)13-15-10-16(20)12-17(11-15)22-26(5,24)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;5-8,11,14,17H,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;10-12,22H,6-9,13-14H2,1-3,5H3
InChIKeyWBEHCZQRRARCJQ-UHFFFAOYSA-N
MW2511.90 g/mol
LogP31.87
Rot. Bonds29

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;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

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 (PubChem CID 161456155) has the molecular formula C146H201ClF4N26O3S and a molecular weight of 2511.90 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;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.

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;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
PubChem CID161456155
Molecular FormulaC146H201ClF4N26O3S
Molecular Weight2511.90 g/mol
Exact Mass2509.57
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;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
SMILES[C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cc(F)cc(NS(C)(=O)=O)c2)CC1.[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(-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.C21H28N4.C20H28ClN3O.C20H27N5.C19H28FN3O2S/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(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;1-18(2,3)19(14-21-4)6-8-23(9-7-19)13-15-10-16(20)12-17(11-15)22-26(5,24)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;5-8,11,14,17H,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;10-12,22H,6-9,13-14H2,1-3,5H3
InChIKeyWBEHCZQRRARCJQ-UHFFFAOYSA-N
XLogP31.87
TPSA215.88 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.90
LogP ≤ 531.87
H-Bond Donors ≤ 52
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;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 with MolForge

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Related Compounds

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
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;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 159485810
5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;3-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 159624315
CID 162156286
CID 162156286
4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[3-[(2,3-difluorophenyl)methyl]-6-fluoroimidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160724746

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;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?
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;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) 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;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.
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;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?
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;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 is [C-]#[N+]CC1(C(C)(C)C)CCN(Cc2cc(F)cc(NS(C)(=O)=O)c2)CC1.[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(-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;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?
The InChIKey is WBEHCZQRRARCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4.C22H30N4.C22H33N3.C21H28N4.C20H28ClN3O.C20H27N5.C19H28FN3O2S/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(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;1-18(2,3)19(14-21-4)6-8-23(9-7-19)13-15-10-16(20)12-17(11-15)22-26(5,24)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;5-8,11,14,17H,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;10-12,22H,6-9,13-14H2,1-3,5H3.
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;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?
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 has a molecular weight of 2511.90 g/mol, XLogP of 31.87, 29 rotatable bonds, 2 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;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 is sourced from PubChem (CID 161456155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).