tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate

C161H259N7O24 — CID 159179235

IUPACtert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate
SMILESCC(C)(C)OC(=O)N1CCCCC1.CC(C)(OC(=O)CCCc1ccccc1)C1CCCCC1.CC(C)(OC(=O)N1CCCCC1)C1CCCCC1.CC(C)C(C)(C)OC(=O)N1CCCC1=O.CC(C)C1(OC(=O)CCCc2ccccc2)CCCCC1.CC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.CC1(OC(=O)N2CCCCC2)CCCCC1.CCC(C)(C)OC(=O)CCCc1ccccc1.CCC(C)(C)OC(=O)N1CCCCC1.CCC(CC)(CC)OC(=O)N1CCCCC1.COc1ccc(COC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/2C19H28O2.C18H20O3.C17H27NO2.C15H27NO2.C15H22O2.C13H23NO2.C13H25NO2.C11H19NO3.C11H21NO2.C10H19NO2/c1-16(2)19(14-7-4-8-15-19)21-18(20)13-9-12-17-10-5-3-6-11-17;1-19(2,17-13-7-4-8-14-17)21-18(20)15-9-12-16-10-5-3-6-11-16;1-20-17-12-10-16(11-13-17)14-21-18(19)9-5-8-15-6-3-2-4-7-15;1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12;1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16;1-4-15(2,3)17-14(16)12-8-11-13-9-6-5-7-10-13;1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14;1-4-13(5-2,6-3)16-12(15)14-10-8-7-9-11-14;1-8(2)11(3,4)15-10(14)12-7-5-6-9(12)13;1-4-11(2,3)14-10(13)12-8-6-5-7-9-12;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h3,5-6,10-11,16H,4,7-9,12-15H2,1-2H3;3,5-6,10-11,17H,4,7-9,12-15H2,1-2H3;2-4,6-7,10-13H,5,8-9,14H2,1H3;12-15H,2-11H2,1H3;13H,3-12H2,1-2H3;5-7,9-10H,4,8,11-12H2,1-3H3;2-11H2,1H3;4-11H2,1-3H3;8H,5-7H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyKMRFVFCGKXIFEO-UHFFFAOYSA-N
MW2676.87 g/mol
LogP39.41
Rot. Bonds37

About tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate

tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate (PubChem CID 159179235) has the molecular formula C161H259N7O24 and a molecular weight of 2676.87 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate.

Molecular Properties

Compound Nametert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate
PubChem CID159179235
Molecular FormulaC161H259N7O24
Molecular Weight2676.87 g/mol
Exact Mass2674.93
IUPAC Nametert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate
SMILESCC(C)(C)OC(=O)N1CCCCC1.CC(C)(OC(=O)CCCc1ccccc1)C1CCCCC1.CC(C)(OC(=O)N1CCCCC1)C1CCCCC1.CC(C)C(C)(C)OC(=O)N1CCCC1=O.CC(C)C1(OC(=O)CCCc2ccccc2)CCCCC1.CC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.CC1(OC(=O)N2CCCCC2)CCCCC1.CCC(C)(C)OC(=O)CCCc1ccccc1.CCC(C)(C)OC(=O)N1CCCCC1.CCC(CC)(CC)OC(=O)N1CCCCC1.COc1ccc(COC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/2C19H28O2.C18H20O3.C17H27NO2.C15H27NO2.C15H22O2.C13H23NO2.C13H25NO2.C11H19NO3.C11H21NO2.C10H19NO2/c1-16(2)19(14-7-4-8-15-19)21-18(20)13-9-12-17-10-5-3-6-11-17;1-19(2,17-13-7-4-8-14-17)21-18(20)15-9-12-16-10-5-3-6-11-16;1-20-17-12-10-16(11-13-17)14-21-18(19)9-5-8-15-6-3-2-4-7-15;1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12;1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16;1-4-15(2,3)17-14(16)12-8-11-13-9-6-5-7-10-13;1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14;1-4-13(5-2,6-3)16-12(15)14-10-8-7-9-11-14;1-8(2)11(3,4)15-10(14)12-7-5-6-9(12)13;1-4-11(2,3)14-10(13)12-8-6-5-7-9-12;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h3,5-6,10-11,16H,4,7-9,12-15H2,1-2H3;3,5-6,10-11,17H,4,7-9,12-15H2,1-2H3;2-4,6-7,10-13H,5,8-9,14H2,1H3;12-15H,2-11H2,1H3;13H,3-12H2,1-2H3;5-7,9-10H,4,8,11-12H2,1-3H3;2-11H2,1H3;4-11H2,1-3H3;8H,5-7H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyKMRFVFCGKXIFEO-UHFFFAOYSA-N
XLogP39.41
TPSA338.28 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002676.87
LogP ≤ 539.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate?
The IUPAC name of tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate (CID 159179235) is tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate.
What is the SMILES notation for tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate?
The canonical SMILES for tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate is CC(C)(C)OC(=O)N1CCCCC1.CC(C)(OC(=O)CCCc1ccccc1)C1CCCCC1.CC(C)(OC(=O)N1CCCCC1)C1CCCCC1.CC(C)C(C)(C)OC(=O)N1CCCC1=O.CC(C)C1(OC(=O)CCCc2ccccc2)CCCCC1.CC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.CC1(OC(=O)N2CCCCC2)CCCCC1.CCC(C)(C)OC(=O)CCCc1ccccc1.CCC(C)(C)OC(=O)N1CCCCC1.CCC(CC)(CC)OC(=O)N1CCCCC1.COc1ccc(COC(=O)CCCc2ccccc2)cc1.
What is the InChIKey of tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate?
The InChIKey is KMRFVFCGKXIFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H28O2.C18H20O3.C17H27NO2.C15H27NO2.C15H22O2.C13H23NO2.C13H25NO2.C11H19NO3.C11H21NO2.C10H19NO2/c1-16(2)19(14-7-4-8-15-19)21-18(20)13-9-12-17-10-5-3-6-11-17;1-19(2,17-13-7-4-8-14-17)21-18(20)15-9-12-16-10-5-3-6-11-16;1-20-17-12-10-16(11-13-17)14-21-18(19)9-5-8-15-6-3-2-4-7-15;1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12;1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16;1-4-15(2,3)17-14(16)12-8-11-13-9-6-5-7-10-13;1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14;1-4-13(5-2,6-3)16-12(15)14-10-8-7-9-11-14;1-8(2)11(3,4)15-10(14)12-7-5-6-9(12)13;1-4-11(2,3)14-10(13)12-8-6-5-7-9-12;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h3,5-6,10-11,16H,4,7-9,12-15H2,1-2H3;3,5-6,10-11,17H,4,7-9,12-15H2,1-2H3;2-4,6-7,10-13H,5,8-9,14H2,1H3;12-15H,2-11H2,1H3;13H,3-12H2,1-2H3;5-7,9-10H,4,8,11-12H2,1-3H3;2-11H2,1H3;4-11H2,1-3H3;8H,5-7H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3.
What are the key properties of tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate?
tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate has a molecular weight of 2676.87 g/mol, XLogP of 39.41, 37 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2-cyclohexylpropan-2-yl piperidine-1-carboxylate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl piperidine-1-carboxylate;(4-methoxyphenyl)methyl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate is sourced from PubChem (CID 159179235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).