1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide

C98H179F8N15O6 — CID 165059216

About 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide

1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide (PubChem CID 165059216) has the molecular formula C98H179F8N15O6 and a molecular weight of 1815.59 g/mol. Its IUPAC name is 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide
• PubChem CID: 165059216
• Molecular Formula: C98H179F8N15O6
• Molecular Weight: 1815.59 g/mol
• Exact Mass: 1814.40
• IUPAC Name: 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide
• SMILES: CC(C)C(=O)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)C(=O)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)C(=O)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)C(=O)NC1CCN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)C(=O)NC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)C(=O)NC1CN(C2CCN(C(C)C)CC2)CC1(F)F
• InChI: InChI=1S/C18H32F2N2O.2C16H29F2N3O.C16H28F2N2O.C16H31N3O.C16H30N2O/c1-13(2)16(23)11-15-5-8-21(9-6-15)17-7-10-22(14(3)4)12-18(17,19)20;1-11(2)15(22)19-13-5-7-20(9-13)14-6-8-21(12(3)4)10-16(14,17)18;1-11(2)15(22)19-14-9-21(10-16(14,17)18)13-5-7-20(8-6-13)12(3)4;1-11(2)15(21)7-13-5-6-19(10-16(13,17)18)14-8-20(9-14)12(3)4;1-12(2)16(20)17-14-5-8-19(11-14)15-6-9-18(10-7-15)13(3)4;1-12(2)16(19)9-14-5-7-17(8-6-14)15-10-18(11-15)13(3)4/h13-15,17H,5-12H2,1-4H3;2*11-14H,5-10H2,1-4H3,(H,19,22);11-14H,5-10H2,1-4H3;12-15H,5-11H2,1-4H3,(H,17,20);12-15H,5-11H2,1-4H3
• InChIKey: QXTHRGAIBVVHRC-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 177.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.59
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide?

The IUPAC name of 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide (CID 165059216) is 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide.

What is the SMILES notation for 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide?

The canonical SMILES for 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide is CC(C)C(=O)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)C(=O)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)C(=O)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)C(=O)NC1CCN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)C(=O)NC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)C(=O)NC1CN(C2CCN(C(C)C)CC2)CC1(F)F.

What is the InChIKey of 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide?

The InChIKey is QXTHRGAIBVVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N2O.2C16H29F2N3O.C16H28F2N2O.C16H31N3O.C16H30N2O/c1-13(2)16(23)11-15-5-8-21(9-6-15)17-7-10-22(14(3)4)12-18(17,19)20;1-11(2)15(22)19-13-5-7-20(9-13)14-6-8-21(12(3)4)10-16(14,17)18;1-11(2)15(22)19-14-9-21(10-16(14,17)18)13-5-7-20(8-6-13)12(3)4;1-11(2)15(21)7-13-5-6-19(10-16(13,17)18)14-8-20(9-14)12(3)4;1-12(2)16(20)17-14-5-8-19(11-14)15-6-9-18(10-7-15)13(3)4;1-12(2)16(19)9-14-5-7-17(8-6-14)15-10-18(11-15)13(3)4/h13-15,17H,5-12H2,1-4H3;2*11-14H,5-10H2,1-4H3,(H,19,22);11-14H,5-10H2,1-4H3;12-15H,5-11H2,1-4H3,(H,17,20);12-15H,5-11H2,1-4H3.

What are the key properties of 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide?

1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 1815.59 g/mol, XLogP of 14.10, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one;1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;N-[4,4-difluoro-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one;2-methyl-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 165059216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).