5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

C27H35Cl2N5O2 — CID 22061369

About 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (PubChem CID 22061369) has the molecular formula C27H35Cl2N5O2 and a molecular weight of 532.52 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.

Molecular Properties

• Compound Name: 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
• PubChem CID: 22061369
• Molecular Formula: C27H35Cl2N5O2
• Molecular Weight: 532.52 g/mol
• Exact Mass: 531.22
• IUPAC Name: 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
• SMILES: CN(C)c1cccc(N2CC(CCN3CC(N4CCOCC4)C3)(c3ccc(Cl)c(Cl)c3)CCC2=O)n1
• InChI: InChI=1S/C27H35Cl2N5O2/c1-31(2)24-4-3-5-25(30-24)34-19-27(9-8-26(34)35,20-6-7-22(28)23(29)16-20)10-11-32-17-21(18-32)33-12-14-36-15-13-33/h3-7,16,21H,8-15,17-19H2,1-2H3
• InChIKey: FLPGVDUXTUZYRT-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 52.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.52
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?

The IUPAC name of 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (CID 22061369) is 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.

What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?

The canonical SMILES for 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is CN(C)c1cccc(N2CC(CCN3CC(N4CCOCC4)C3)(c3ccc(Cl)c(Cl)c3)CCC2=O)n1.

What is the InChIKey of 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?

The InChIKey is FLPGVDUXTUZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Cl2N5O2/c1-31(2)24-4-3-5-25(30-24)34-19-27(9-8-26(34)35,20-6-7-22(28)23(29)16-20)10-11-32-17-21(18-32)33-12-14-36-15-13-33/h3-7,16,21H,8-15,17-19H2,1-2H3.

What are the key properties of 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?

5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one has a molecular weight of 532.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 22061369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).