tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one

C124H188N20O21 — CID 158097860

About tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one

tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 158097860) has the molecular formula C124H188N20O21 and a molecular weight of 2294.99 g/mol. Its IUPAC name is tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

• Compound Name: tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one
• PubChem CID: 158097860
• Molecular Formula: C124H188N20O21
• Molecular Weight: 2294.99 g/mol
• Exact Mass: 2293.43
• IUPAC Name: tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one
• SMILES: CC(C)(C)OC(=O)N1CCC(C#N)CC1.CC(C)(C)OC(=O)N1CCC(C)(C(N)=O)CC1.CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1.CC1(N)CCN(C(=O)OC(C)(C)C)CC1.CCOC(=O)c1cnc(CC2(C)CCN(C(=O)OC(C)(C)C)CC2)nc1.CCOC(=O)c1cnc(CC2(C)CCN(C(=O)[C@H](C)c3ccccc3)CC2)nc1.CCOC(=O)c1cnc(CC2(C)CCNCC2)nc1.C[C@@H](C(=O)N1CCC(C)(Cc2ncc(C(=O)CO)cn2)CC1)c1ccccc1
• InChI: InChI=1S/C23H29N3O3.C22H27N3O3.C19H29N3O4.C14H21N3O2.C12H22N2O3.C12H20N2O2.C11H22N2O2.C11H18N2O2/c1-4-29-22(28)19-15-24-20(25-16-19)14-23(3)10-12-26(13-11-23)21(27)17(2)18-8-6-5-7-9-18;1-16(17-6-4-3-5-7-17)21(28)25-10-8-22(2,9-11-25)12-20-23-13-18(14-24-20)19(27)15-26;1-6-25-16(23)14-12-20-15(21-13-14)11-19(5)7-9-22(10-8-19)17(24)26-18(2,3)4;1-3-19-13(18)11-9-16-12(17-10-11)8-14(2)4-6-15-7-5-14;1-11(2,3)17-10(16)14-7-5-12(4,6-8-14)9(13)15;1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14;1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h5-9,15-17H,4,10-14H2,1-3H3;3-7,13-14,16,26H,8-12,15H2,1-2H3;12-13H,6-11H2,1-5H3;9-10,15H,3-8H2,1-2H3;5-8H2,1-4H3,(H2,13,15);5-8H2,1-4H3;5-8,12H2,1-4H3;9H,4-7H2,1-3H3/t17-;16-;;;;;;/m11....../s1
• InChIKey: FOWQJMNWWYQVOO-HHVLKLEPSA-N
• XLogP: 19.02
• TPSA: 536.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.99
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one?

The IUPAC name of tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one (CID 158097860) is tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one.

What is the SMILES notation for tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one?

The canonical SMILES for tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one is CC(C)(C)OC(=O)N1CCC(C#N)CC1.CC(C)(C)OC(=O)N1CCC(C)(C(N)=O)CC1.CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1.CC1(N)CCN(C(=O)OC(C)(C)C)CC1.CCOC(=O)c1cnc(CC2(C)CCN(C(=O)OC(C)(C)C)CC2)nc1.CCOC(=O)c1cnc(CC2(C)CCN(C(=O)[C@H](C)c3ccccc3)CC2)nc1.CCOC(=O)c1cnc(CC2(C)CCNCC2)nc1.C[C@@H](C(=O)N1CCC(C)(Cc2ncc(C(=O)CO)cn2)CC1)c1ccccc1.

What is the InChIKey of tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one?

The InChIKey is FOWQJMNWWYQVOO-HHVLKLEPSA-N. The full InChI is InChI=1S/C23H29N3O3.C22H27N3O3.C19H29N3O4.C14H21N3O2.C12H22N2O3.C12H20N2O2.C11H22N2O2.C11H18N2O2/c1-4-29-22(28)19-15-24-20(25-16-19)14-23(3)10-12-26(13-11-23)21(27)17(2)18-8-6-5-7-9-18;1-16(17-6-4-3-5-7-17)21(28)25-10-8-22(2,9-11-25)12-20-23-13-18(14-24-20)19(27)15-26;1-6-25-16(23)14-12-20-15(21-13-14)11-19(5)7-9-22(10-8-19)17(24)26-18(2,3)4;1-3-19-13(18)11-9-16-12(17-10-11)8-14(2)4-6-15-7-5-14;1-11(2,3)17-10(16)14-7-5-12(4,6-8-14)9(13)15;1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14;1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h5-9,15-17H,4,10-14H2,1-3H3;3-7,13-14,16,26H,8-12,15H2,1-2H3;12-13H,6-11H2,1-5H3;9-10,15H,3-8H2,1-2H3;5-8H2,1-4H3,(H2,13,15);5-8H2,1-4H3;5-8,12H2,1-4H3;9H,4-7H2,1-3H3/t17-;16-;;;;;;/m11....../s1.

What are the key properties of tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one?

tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 2294.99 g/mol, XLogP of 19.02, 21 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate;ethyl 2-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-methylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;(2R)-1-[4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-methylpiperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 158097860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).