2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate

C130H182N10O14 — CID 161409198

About 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate

2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate (PubChem CID 161409198) has the molecular formula C130H182N10O14 and a molecular weight of 2108.94 g/mol. Its IUPAC name is 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate.

Molecular Properties

• Compound Name: 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate
• PubChem CID: 161409198
• Molecular Formula: C130H182N10O14
• Molecular Weight: 2108.94 g/mol
• Exact Mass: 2107.38
• IUPAC Name: 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate
• SMILES: C=C(C)C(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1.C=CC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1.CCC1(CC)CC(NC(=O)c2cccc(C(=O)OC)c2)CC(C)(C)N1OC(C)c1ccccc1.CCC1(CC)CC(NC(=O)c2cccc3ccccc23)CC(C)(C)N1OC(C)c1ccccc1.CCC1(CC)CC(NC(=O)c2ccccc2C(=O)O)CC(C)(C)N1OC(C)c1ccccc1
• InChI: InChI=1S/C30H38N2O2.C28H38N2O4.C27H36N2O4.C23H36N2O2.C22H34N2O2/c1-6-30(7-2)21-25(31-28(33)27-19-13-17-24-16-11-12-18-26(24)27)20-29(4,5)32(30)34-22(3)23-14-9-8-10-15-23;1-7-28(8-2)19-24(29-25(31)22-15-12-16-23(17-22)26(32)33-6)18-27(4,5)30(28)34-20(3)21-13-10-9-11-14-21;1-6-27(7-2)18-21(28-24(30)22-15-11-12-16-23(22)25(31)32)17-26(4,5)29(27)33-19(3)20-13-9-8-10-14-20;1-8-23(9-2)16-20(24-21(26)17(3)4)15-22(6,7)25(23)27-18(5)19-13-11-10-12-14-19;1-7-20(25)23-19-15-21(5,6)24(22(8-2,9-3)16-19)26-17(4)18-13-11-10-12-14-18/h8-19,22,25H,6-7,20-21H2,1-5H3,(H,31,33);9-17,20,24H,7-8,18-19H2,1-6H3,(H,29,31);8-16,19,21H,6-7,17-18H2,1-5H3,(H,28,30)(H,31,32);10-14,18,20H,3,8-9,15-16H2,1-2,4-7H3,(H,24,26);7,10-14,17,19H,1,8-9,15-16H2,2-6H3,(H,23,25)
• InChIKey: VVFZKKMKCOZVBP-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 271.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.94
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate?

The IUPAC name of 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate (CID 161409198) is 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate.

What is the SMILES notation for 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate?

The canonical SMILES for 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate is C=C(C)C(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1.C=CC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1.CCC1(CC)CC(NC(=O)c2cccc(C(=O)OC)c2)CC(C)(C)N1OC(C)c1ccccc1.CCC1(CC)CC(NC(=O)c2cccc3ccccc23)CC(C)(C)N1OC(C)c1ccccc1.CCC1(CC)CC(NC(=O)c2ccccc2C(=O)O)CC(C)(C)N1OC(C)c1ccccc1.

What is the InChIKey of 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate?

The InChIKey is VVFZKKMKCOZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2.C28H38N2O4.C27H36N2O4.C23H36N2O2.C22H34N2O2/c1-6-30(7-2)21-25(31-28(33)27-19-13-17-24-16-11-12-18-26(24)27)20-29(4,5)32(30)34-22(3)23-14-9-8-10-15-23;1-7-28(8-2)19-24(29-25(31)22-15-12-16-23(17-22)26(32)33-6)18-27(4,5)30(28)34-20(3)21-13-10-9-11-14-21;1-6-27(7-2)18-21(28-24(30)22-15-11-12-16-23(22)25(31)32)17-26(4,5)29(27)33-19(3)20-13-9-8-10-14-20;1-8-23(9-2)16-20(24-21(26)17(3)4)15-22(6,7)25(23)27-18(5)19-13-11-10-12-14-19;1-7-20(25)23-19-15-21(5,6)24(22(8-2,9-3)16-19)26-17(4)18-13-11-10-12-14-18/h8-19,22,25H,6-7,20-21H2,1-5H3,(H,31,33);9-17,20,24H,7-8,18-19H2,1-6H3,(H,29,31);8-16,19,21H,6-7,17-18H2,1-5H3,(H,28,30)(H,31,32);10-14,18,20H,3,8-9,15-16H2,1-2,4-7H3,(H,24,26);7,10-14,17,19H,1,8-9,15-16H2,2-6H3,(H,23,25).

What are the key properties of 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate?

2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate has a molecular weight of 2108.94 g/mol, XLogP of 28.33, 37 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoic acid;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;methyl 3-[[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]carbamoyl]benzoate is sourced from PubChem (CID 161409198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).