3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

C62H85ClF6N20O3 — CID 158698951

About 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 158698951) has the molecular formula C62H85ClF6N20O3 and a molecular weight of 1307.94 g/mol. Its IUPAC name is 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
• PubChem CID: 158698951
• Molecular Formula: C62H85ClF6N20O3
• Molecular Weight: 1307.94 g/mol
• Exact Mass: 1306.67
• IUPAC Name: 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
• SMILES: Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC3CCCCC3=O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC3CCCN(C)C3=O)n2)n1.NC1CCCNC1=O
• InChI: InChI=1S/C21H29F2N7O.C21H28F2N6O.C15H18ClF2N5.C5H10N2O/c1-13-11-14(2)30(28-13)20-26-17(24-15-6-8-21(22,23)9-7-15)12-18(27-20)25-16-5-4-10-29(3)19(16)31;1-13-11-14(2)29(28-13)20-26-18(24-15-7-9-21(22,23)10-8-15)12-19(27-20)25-16-5-3-4-6-17(16)30;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;6-4-2-1-3-7-5(4)8/h11-12,15-16H,4-10H2,1-3H3,(H2,24,25,26,27);11-12,15-16H,3-10H2,1-2H3,(H2,24,25,26,27);7-8,11H,3-6H2,1-2H3,(H,19,20,21);4H,1-3,6H2,(H,7,8)
• InChIKey: IHHFOAYTLYFUTG-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 283.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1307.94
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The IUPAC name of 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 158698951) is 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

What is the SMILES notation for 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The canonical SMILES for 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC3CCCCC3=O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC3CCCN(C)C3=O)n2)n1.NC1CCCNC1=O.

What is the InChIKey of 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The InChIKey is IHHFOAYTLYFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N7O.C21H28F2N6O.C15H18ClF2N5.C5H10N2O/c1-13-11-14(2)30(28-13)20-26-17(24-15-6-8-21(22,23)9-7-15)12-18(27-20)25-16-5-4-10-29(3)19(16)31;1-13-11-14(2)29(28-13)20-26-18(24-15-7-9-21(22,23)10-8-15)12-19(27-20)25-16-5-3-4-6-17(16)30;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;6-4-2-1-3-7-5(4)8/h11-12,15-16H,4-10H2,1-3H3,(H2,24,25,26,27);11-12,15-16H,3-10H2,1-2H3,(H2,24,25,26,27);7-8,11H,3-6H2,1-2H3,(H,19,20,21);4H,1-3,6H2,(H,7,8).

What are the key properties of 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 1307.94 g/mol, XLogP of 10.64, 13 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 158698951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).