tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid

C98H128BCl3FN29O11 — CID 160960861

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid (PubChem CID 160960861) has the molecular formula C98H128BCl3FN29O11 and a molecular weight of 2025.47 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid
• PubChem CID: 160960861
• Molecular Formula: C98H128BCl3FN29O11
• Molecular Weight: 2025.47 g/mol
• Exact Mass: 2022.96
• IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid
• SMILES: C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3nccc(-c4ccnn4C)n3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Clc1ccnc(Cl)n1.Cn1nccc1-c1ccnc(Cl)n1.Cn1nccc1-c1ccnc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.Cn1nccc1-c1ccnc(N[C@@H]2CCCNC2)n1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.[2H]CF
• InChI: InChI=1S/C24H26N6O2.C18H26N6O2.C13H18N6.C10H17BN2O2.C10H20N2O2.C10H9NO3.C8H7ClN4.C4H2Cl2N2.CH3F/c1-3-23(31)27-19-8-6-18(7-9-19)24(32)30-14-4-5-17(16-30)15-22-25-12-10-20(28-22)21-11-13-26-29(21)2;1-18(2,3)26-17(25)24-11-5-6-13(12-24)21-16-19-9-7-14(22-16)15-8-10-20-23(15)4;1-19-12(5-8-16-19)11-4-7-15-13(18-11)17-10-3-2-6-14-9-10;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-2-9(12)11-8-5-3-7(4-6-8)10(13)14;1-13-7(3-5-11-13)6-2-4-10-8(9)12-6;5-3-1-2-7-4(6)8-3;1-2/h3,6-13,17H,1,4-5,14-16H2,2H3,(H,27,31);7-10,13H,5-6,11-12H2,1-4H3,(H,19,21,22);4-5,7-8,10,14H,2-3,6,9H2,1H3,(H,15,17,18);6-7H,1-5H3;8H,4-7,11H2,1-3H3;2-6H,1H2,(H,11,12)(H,13,14);2-5H,1H3;1-2H;1H3/t17-;13-;10-;;8-;;;;/m011.1..../s1/i;;;;;;;;1D
• InChIKey: SWZJNOVYWPNOGX-KWGKKKNUSA-N
• XLogP: 14.30
• TPSA: 473.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 17
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2025.47
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid?

The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid (CID 160960861) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid.

What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid?

The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid is C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3nccc(-c4ccnn4C)n3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Clc1ccnc(Cl)n1.Cn1nccc1-c1ccnc(Cl)n1.Cn1nccc1-c1ccnc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.Cn1nccc1-c1ccnc(N[C@@H]2CCCNC2)n1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.[2H]CF.

What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid?

The InChIKey is SWZJNOVYWPNOGX-KWGKKKNUSA-N. The full InChI is InChI=1S/C24H26N6O2.C18H26N6O2.C13H18N6.C10H17BN2O2.C10H20N2O2.C10H9NO3.C8H7ClN4.C4H2Cl2N2.CH3F/c1-3-23(31)27-19-8-6-18(7-9-19)24(32)30-14-4-5-17(16-30)15-22-25-12-10-20(28-22)21-11-13-26-29(21)2;1-18(2,3)26-17(25)24-11-5-6-13(12-24)21-16-19-9-7-14(22-16)15-8-10-20-23(15)4;1-19-12(5-8-16-19)11-4-7-15-13(18-11)17-10-3-2-6-14-9-10;1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-2-9(12)11-8-5-3-7(4-6-8)10(13)14;1-13-7(3-5-11-13)6-2-4-10-8(9)12-6;5-3-1-2-7-4(6)8-3;1-2/h3,6-13,17H,1,4-5,14-16H2,2H3,(H,27,31);7-10,13H,5-6,11-12H2,1-4H3,(H,19,21,22);4-5,7-8,10,14H,2-3,6,9H2,1H3,(H,15,17,18);6-7H,1-5H3;8H,4-7,11H2,1-3H3;2-6H,1H2,(H,11,12)(H,13,14);2-5H,1H3;1-2H;1H3/t17-;13-;10-;;8-;;;;/m011.1..../s1/i;;;;;;;;1D.

What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid?

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid has a molecular weight of 2025.47 g/mol, XLogP of 14.30, 17 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine;deuterio(fluoro)methane;2,4-dichloropyrimidine;4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;N-[4-[(3S)-3-[[4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(prop-2-enoylamino)benzoic acid is sourced from PubChem (CID 160960861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).