tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate

C115H182N18O15 — CID 161337742

IUPACtert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
SMILESCN(CC1CCC(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(c3ncc[nH]3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(n3ccnc3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)NCCC2=CCc3ncccc32)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H39N3O3.C24H35N3O3.3C22H36N4O3/c1-25(2,3)31-24(30)27(4)17-18-5-7-21(8-6-18)23(29)28-15-13-20(14-16-28)19-9-11-22(26)12-10-19;1-24(2,3)30-23(29)27(4)16-17-7-9-19(10-8-17)22(28)26-15-13-18-11-12-21-20(18)6-5-14-25-21;1-22(2,3)29-21(28)25(4)15-16-5-7-18(8-6-16)20(27)26-13-9-17(10-14-26)19-23-11-12-24-19;1-22(2,3)29-21(28)24(4)15-17-5-7-18(8-6-17)20(27)25-12-9-19(10-13-25)26-14-11-23-16-26;1-22(2,3)29-21(28)25(4)14-16-5-7-18(8-6-16)20(27)26-11-9-17(10-12-26)19-13-23-15-24-19/h9-12,18,20-21H,5-8,13-17,26H2,1-4H3;5-6,11,14,17,19H,7-10,12-13,15-16H2,1-4H3,(H,26,28);11-12,16-18H,5-10,13-15H2,1-4H3,(H,23,24);11,14,16-19H,5-10,12-13,15H2,1-4H3;13,15-18H,5-12,14H2,1-4H3,(H,23,24)
InChIKeyVMGKFGKFOCFFFC-UHFFFAOYSA-N
MW2056.83 g/mol
LogP20.15
Rot. Bonds22

About tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate

tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate (PubChem CID 161337742) has the molecular formula C115H182N18O15 and a molecular weight of 2056.83 g/mol. Its IUPAC name is tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
PubChem CID161337742
Molecular FormulaC115H182N18O15
Molecular Weight2056.83 g/mol
Exact Mass2055.40
IUPAC Nametert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
SMILESCN(CC1CCC(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(c3ncc[nH]3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(n3ccnc3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)NCCC2=CCc3ncccc32)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H39N3O3.C24H35N3O3.3C22H36N4O3/c1-25(2,3)31-24(30)27(4)17-18-5-7-21(8-6-18)23(29)28-15-13-20(14-16-28)19-9-11-22(26)12-10-19;1-24(2,3)30-23(29)27(4)16-17-7-9-19(10-8-17)22(28)26-15-13-18-11-12-21-20(18)6-5-14-25-21;1-22(2,3)29-21(28)25(4)15-16-5-7-18(8-6-16)20(27)26-13-9-17(10-14-26)19-23-11-12-24-19;1-22(2,3)29-21(28)24(4)15-17-5-7-18(8-6-17)20(27)25-12-9-19(10-13-25)26-14-11-23-16-26;1-22(2,3)29-21(28)25(4)14-16-5-7-18(8-6-16)20(27)26-11-9-17(10-12-26)19-13-23-15-24-19/h9-12,18,20-21H,5-8,13-17,26H2,1-4H3;5-6,11,14,17,19H,7-10,12-13,15-16H2,1-4H3,(H,26,28);11-12,16-18H,5-10,13-15H2,1-4H3,(H,23,24);11,14,16-19H,5-10,12-13,15H2,1-4H3;13,15-18H,5-12,14H2,1-4H3,(H,23,24)
InChIKeyVMGKFGKFOCFFFC-UHFFFAOYSA-N
XLogP20.15
TPSA372.13 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002056.83
LogP ≤ 520.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate (CID 161337742) is tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate is CN(CC1CCC(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(c3ncc[nH]3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)N2CCC(n3ccnc3)CC2)CC1)C(=O)OC(C)(C)C.CN(CC1CCC(C(=O)NCCC2=CCc3ncccc32)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
The InChIKey is VMGKFGKFOCFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3.C24H35N3O3.3C22H36N4O3/c1-25(2,3)31-24(30)27(4)17-18-5-7-21(8-6-18)23(29)28-15-13-20(14-16-28)19-9-11-22(26)12-10-19;1-24(2,3)30-23(29)27(4)16-17-7-9-19(10-8-17)22(28)26-15-13-18-11-12-21-20(18)6-5-14-25-21;1-22(2,3)29-21(28)25(4)15-16-5-7-18(8-6-16)20(27)26-13-9-17(10-14-26)19-23-11-12-24-19;1-22(2,3)29-21(28)24(4)15-17-5-7-18(8-6-17)20(27)25-12-9-19(10-13-25)26-14-11-23-16-26;1-22(2,3)29-21(28)25(4)14-16-5-7-18(8-6-16)20(27)26-11-9-17(10-12-26)19-13-23-15-24-19/h9-12,18,20-21H,5-8,13-17,26H2,1-4H3;5-6,11,14,17,19H,7-10,12-13,15-16H2,1-4H3,(H,26,28);11-12,16-18H,5-10,13-15H2,1-4H3,(H,23,24);11,14,16-19H,5-10,12-13,15H2,1-4H3;13,15-18H,5-12,14H2,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate has a molecular weight of 2056.83 g/mol, XLogP of 20.15, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[4-(4-aminophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[2-(7H-cyclopenta[b]pyridin-5-yl)ethylcarbamoyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(4-imidazol-1-ylpiperidine-1-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 161337742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).