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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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

C100H182F8N14O6 — CID 167590307

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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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 167590307) has the molecular formula C100H182F8N14O6 and a molecular weight of 1828.63 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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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: 167590307
• Molecular Formula: C100H182F8N14O6
• Molecular Weight: 1828.63 g/mol
• Exact Mass: 1827.42
• 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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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(C2CCN(C(C)C)CC2)CC1(F)F.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)C1.CC(C)C(=O)NC1CN(C2CCN(C(C)C)CC2)CC1(F)F
• InChI: InChI=1S/2C18H32F2N2O.C16H29F2N3O.C16H28F2N2O.C16H31N3O.C16H30N2O/c1-13(2)17(23)11-15-5-8-22(12-18(15,19)20)16-6-9-21(10-7-16)14(3)4;1-13(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)19-14-9-21(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/h13-16H,5-12H2,1-4H3;13-15,17H,5-12H2,1-4H3;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: IIPNAEDNSJTEQV-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 165.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.63
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	2
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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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 167590307) 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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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(C2CCN(C(C)C)CC2)CC1(F)F.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)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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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 IIPNAEDNSJTEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H32F2N2O.C16H29F2N3O.C16H28F2N2O.C16H31N3O.C16H30N2O/c1-13(2)17(23)11-15-5-8-22(12-18(15,19)20)16-6-9-21(10-7-16)14(3)4;1-13(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)19-14-9-21(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/h13-16H,5-12H2,1-4H3;13-15,17H,5-12H2,1-4H3;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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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 1828.63 g/mol, XLogP of 15.58, 28 rotatable bonds, 2 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;1-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one;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 167590307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).