(2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C113H202F8N24O9 — CID 159177848

About (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 159177848) has the molecular formula C113H202F8N24O9 and a molecular weight of 2193.00 g/mol. Its IUPAC name is (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 159177848
• Molecular Formula: C113H202F8N24O9
• Molecular Weight: 2193.00 g/mol
• Exact Mass: 2191.60
• IUPAC Name: (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: CN1CCC([C@@H]2CCCN2C(=O)NC2(C)CCC2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NC2CC(F)(F)C2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NC2CC2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NC2CCC2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NCC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2C(=O)NCC(F)F)CC1.CN1CCC([C@@H]2CCCN2C(=O)NCCF)CC1.COCCNC(=O)N1CCC[C@H]1C1CCN(C)CC1
• InChI: InChI=1S/C16H29N3O.C15H25F2N3O.C15H27N3O.C14H27N3O2.C14H25N3O.C13H22F3N3O.C13H23F2N3O.C13H24FN3O/c1-16(8-4-9-16)17-15(20)19-10-3-5-14(19)13-6-11-18(2)12-7-13;1-19-7-4-11(5-8-19)13-3-2-6-20(13)14(21)18-12-9-15(16,17)10-12;1-17-10-7-12(8-11-17)14-6-3-9-18(14)15(19)16-13-4-2-5-13;1-16-9-5-12(6-10-16)13-4-3-8-17(13)14(18)15-7-11-19-2;1-16-9-6-11(7-10-16)13-3-2-8-17(13)14(18)15-12-4-5-12;1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16;1-17-7-4-10(5-8-17)11-3-2-6-18(11)13(19)16-9-12(14)15;1-16-9-4-11(5-10-16)12-3-2-8-17(12)13(18)15-7-6-14/h13-14H,3-12H2,1-2H3,(H,17,20);11-13H,2-10H2,1H3,(H,18,21);12-14H,2-11H2,1H3,(H,16,19);12-13H,3-11H2,1-2H3,(H,15,18);11-13H,2-10H2,1H3,(H,15,18);10-11H,2-9H2,1H3,(H,17,20);10-12H,2-9H2,1H3,(H,16,19);11-12H,2-10H2,1H3,(H,15,18)/t14-;13-;14-;2*13-;2*11-;12-/m00000000/s1
• InChIKey: KMMVDRANTFHMOH-OHRLBELGSA-N
• XLogP: 14.92
• TPSA: 293.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.00
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 159177848) is (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN1CCC([C@@H]2CCCN2C(=O)NC2(C)CCC2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NC2CC(F)(F)C2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NC2CC2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NC2CCC2)CC1.CN1CCC([C@@H]2CCCN2C(=O)NCC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2C(=O)NCC(F)F)CC1.CN1CCC([C@@H]2CCCN2C(=O)NCCF)CC1.COCCNC(=O)N1CCC[C@H]1C1CCN(C)CC1.

What is the InChIKey of (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is KMMVDRANTFHMOH-OHRLBELGSA-N. The full InChI is InChI=1S/C16H29N3O.C15H25F2N3O.C15H27N3O.C14H27N3O2.C14H25N3O.C13H22F3N3O.C13H23F2N3O.C13H24FN3O/c1-16(8-4-9-16)17-15(20)19-10-3-5-14(19)13-6-11-18(2)12-7-13;1-19-7-4-11(5-8-19)13-3-2-6-20(13)14(21)18-12-9-15(16,17)10-12;1-17-10-7-12(8-11-17)14-6-3-9-18(14)15(19)16-13-4-2-5-13;1-16-9-5-12(6-10-16)13-4-3-8-17(13)14(18)15-7-11-19-2;1-16-9-6-11(7-10-16)13-3-2-8-17(13)14(18)15-12-4-5-12;1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16;1-17-7-4-10(5-8-17)11-3-2-6-18(11)13(19)16-9-12(14)15;1-16-9-4-11(5-10-16)12-3-2-8-17(12)13(18)15-7-6-14/h13-14H,3-12H2,1-2H3,(H,17,20);11-13H,2-10H2,1H3,(H,18,21);12-14H,2-11H2,1H3,(H,16,19);12-13H,3-11H2,1-2H3,(H,15,18);11-13H,2-10H2,1H3,(H,15,18);10-11H,2-9H2,1H3,(H,17,20);10-12H,2-9H2,1H3,(H,16,19);11-12H,2-10H2,1H3,(H,15,18)/t14-;13-;14-;2*13-;2*11-;12-/m00000000/s1.

What are the key properties of (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

(2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 2193.00 g/mol, XLogP of 14.92, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclobutyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-cyclopropyl-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-N-(1-methylcyclobutyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide;(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 159177848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).