(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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate

C92H162F13N19O11 — CID 158105625

About (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate

(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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 158105625) has the molecular formula C92H162F13N19O11 and a molecular weight of 1957.40 g/mol. Its IUPAC name is (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate
• PubChem CID: 158105625
• Molecular Formula: C92H162F13N19O11
• Molecular Weight: 1957.40 g/mol
• Exact Mass: 1956.25
• IUPAC Name: (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate
• SMILES: CN1CCC(N2CC(F)(F)CC2C(=O)O)CC1.CN1CCC(N2CC(F)(F)CC2C(N)=O)CC1.CN1CCC(N2C[C@@H](F)C[C@@H]2CO)CC1.CN1CCC(N2C[C@H](F)C[C@@H]2CO)CC1.CNC(=O)[C@@H]1CC(F)(F)CN1C1CCN(C)CC1.CNC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.COC(=O)C1CC(F)(F)CN1C1CCN(C)CC1.COC(=O)[C@H]1C[C@H](F)CN1C1CCN(C)CC1
• InChI: InChI=1S/2C12H21F2N3O.C12H20F2N2O2.C12H21FN2O2.C11H19F2N3O.C11H18F2N2O2.2C11H21FN2O/c2*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;1-14-5-3-10(4-6-14)15-8-9(13)7-11(15)12(16)17-2;1-15-4-2-8(3-5-15)16-7-11(12,13)6-9(16)10(14)17;1-14-4-2-8(3-5-14)15-7-11(12,13)6-9(15)10(16)17;2*1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h2*9-10H,3-8H2,1-2H3,(H,15,18);9-10H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-9H,2-7H2,1H3,(H2,14,17);8-9H,2-7H2,1H3,(H,16,17);2*9-11,15H,2-8H2,1H3/t2*10-;;9-,11+;;;9-,11+;9-,11-/m10.0..01/s1
• InChIKey: FPUDSSMOAFSSRH-BPPJMBKQSA-N
• XLogP: 4.82
• TPSA: 283.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.40
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

The IUPAC name of (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate (CID 158105625) is (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate.

What is the SMILES notation for (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

The canonical SMILES for (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate is CN1CCC(N2CC(F)(F)CC2C(=O)O)CC1.CN1CCC(N2CC(F)(F)CC2C(N)=O)CC1.CN1CCC(N2C[C@@H](F)C[C@@H]2CO)CC1.CN1CCC(N2C[C@H](F)C[C@@H]2CO)CC1.CNC(=O)[C@@H]1CC(F)(F)CN1C1CCN(C)CC1.CNC(=O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.COC(=O)C1CC(F)(F)CN1C1CCN(C)CC1.COC(=O)[C@H]1C[C@H](F)CN1C1CCN(C)CC1.

What is the InChIKey of (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

The InChIKey is FPUDSSMOAFSSRH-BPPJMBKQSA-N. The full InChI is InChI=1S/2C12H21F2N3O.C12H20F2N2O2.C12H21FN2O2.C11H19F2N3O.C11H18F2N2O2.2C11H21FN2O/c2*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;1-14-5-3-10(4-6-14)15-8-9(13)7-11(15)12(16)17-2;1-15-4-2-8(3-5-15)16-7-11(12,13)6-9(16)10(14)17;1-14-4-2-8(3-5-14)15-7-11(12,13)6-9(15)10(16)17;2*1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h2*9-10H,3-8H2,1-2H3,(H,15,18);9-10H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-9H,2-7H2,1H3,(H2,14,17);8-9H,2-7H2,1H3,(H,16,17);2*9-11,15H,2-8H2,1H3/t2*10-;;9-,11+;;;9-,11+;9-,11-/m10.0..01/s1.

What are the key properties of (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate?

(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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 1957.40 g/mol, XLogP of 4.82, 16 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (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;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 158105625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).