(2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate

C85H148F14N20O9 — CID 161103551

About (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate

(2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 161103551) has the molecular formula C85H148F14N20O9 and a molecular weight of 1860.22 g/mol. Its IUPAC name is (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate
• PubChem CID: 161103551
• Molecular Formula: C85H148F14N20O9
• Molecular Weight: 1860.22 g/mol
• Exact Mass: 1859.15
• IUPAC Name: (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate
• SMILES: CN1CCC(N2CC(F)(F)C[C@@H]2C(=O)N(C)C)CC1.CN1CCC(N2CC(F)(F)C[C@@H]2C(N)=O)CC1.CN1CCC(N2CC(F)(F)C[C@H]2C(=O)N(C)C)CC1.CNC(=O)[C@@H]1CC(F)(F)CN1C1CCN(C)CC1.CNC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.COC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.CONC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1
• InChI: InChI=1S/2C13H23F2N3O.C12H21F2N3O2.2C12H21F2N3O.C12H20F2N2O2.C11H19F2N3O/c2*1-16(2)12(19)11-8-13(14,15)9-18(11)10-4-6-17(3)7-5-10;1-16-5-3-9(4-6-16)17-8-12(13,14)7-10(17)11(18)15-19-2;2*1-15-11(18)10-7-12(13,14)8-17(10)9-3-5-16(2)6-4-9;1-15-5-3-9(4-6-15)16-8-12(13,14)7-10(16)11(17)18-2;1-15-4-2-8(3-5-15)16-7-11(12,13)6-9(16)10(14)17/h2*10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3,(H,15,18);2*9-10H,3-8H2,1-2H3,(H,15,18);9-10H,3-8H2,1-2H3;8-9H,2-7H2,1H3,(H2,14,17)/t2*11-;4*10-;9-/m1011011/s1
• InChIKey: UITFHFYTHLQIOM-DFDKLXIGSA-N
• XLogP: 4.54
• TPSA: 251.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1860.22
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

The IUPAC name of (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate (CID 161103551) is (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate.

What is the SMILES notation for (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

The canonical SMILES for (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate is CN1CCC(N2CC(F)(F)C[C@@H]2C(=O)N(C)C)CC1.CN1CCC(N2CC(F)(F)C[C@@H]2C(N)=O)CC1.CN1CCC(N2CC(F)(F)C[C@H]2C(=O)N(C)C)CC1.CNC(=O)[C@@H]1CC(F)(F)CN1C1CCN(C)CC1.CNC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.COC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.CONC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.

What is the InChIKey of (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

The InChIKey is UITFHFYTHLQIOM-DFDKLXIGSA-N. The full InChI is InChI=1S/2C13H23F2N3O.C12H21F2N3O2.2C12H21F2N3O.C12H20F2N2O2.C11H19F2N3O/c2*1-16(2)12(19)11-8-13(14,15)9-18(11)10-4-6-17(3)7-5-10;1-16-5-3-9(4-6-16)17-8-12(13,14)7-10(17)11(18)15-19-2;2*1-15-11(18)10-7-12(13,14)8-17(10)9-3-5-16(2)6-4-9;1-15-5-3-9(4-6-15)16-8-12(13,14)7-10(16)11(17)18-2;1-15-4-2-8(3-5-15)16-7-11(12,13)6-9(16)10(14)17/h2*10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3,(H,15,18);2*9-10H,3-8H2,1-2H3,(H,15,18);9-10H,3-8H2,1-2H3;8-9H,2-7H2,1H3,(H2,14,17)/t2*11-;4*10-;9-/m1011011/s1.

What are the key properties of (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

(2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 1860.22 g/mol, XLogP of 4.54, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N,N-dimethyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methoxy-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;methyl (2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 161103551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).