1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one

C52H54ClF3N12O10 — CID 157407541

About 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one

1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one (PubChem CID 157407541) has the molecular formula C52H54ClF3N12O10 and a molecular weight of 1099.52 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one.

Molecular Properties

• Compound Name: 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one
• PubChem CID: 157407541
• Molecular Formula: C52H54ClF3N12O10
• Molecular Weight: 1099.52 g/mol
• Exact Mass: 1098.37
• IUPAC Name: 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one
• SMILES: Nc1ccc(N2CCC(=O)CC2)nc1.O=C1CCN(c2ccc(CC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1.O=C1CCN(c2ccc([N+](=O)[O-])cn2)CC1.O=C1CCNCC1.O=[N+]([O-])c1ccc(Cl)nc1
• InChI: InChI=1S/C22H18F3N3O3.C10H11N3O3.C10H13N3O.C5H3ClN2O2.C5H9NO/c23-22(24,25)20-19(27-21(31-20)15-4-2-1-3-5-15)17(30)12-14-6-7-18(26-13-14)28-10-8-16(29)9-11-28;14-9-3-5-12(6-4-9)10-2-1-8(7-11-10)13(15)16;11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-5-2-1-4(3-7-5)8(9)10;7-5-1-3-6-4-2-5/h1-7,13H,8-12H2;1-2,7H,3-6H2;1-2,7H,3-6,11H2;1-3H;6H,1-4H2
• InChIKey: BNXAKAMUMLBEFD-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 296.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.52
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one?

The IUPAC name of 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one (CID 157407541) is 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one.

What is the SMILES notation for 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one?

The canonical SMILES for 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one is Nc1ccc(N2CCC(=O)CC2)nc1.O=C1CCN(c2ccc(CC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1.O=C1CCN(c2ccc([N+](=O)[O-])cn2)CC1.O=C1CCNCC1.O=[N+]([O-])c1ccc(Cl)nc1.

What is the InChIKey of 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one?

The InChIKey is BNXAKAMUMLBEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3.C10H11N3O3.C10H13N3O.C5H3ClN2O2.C5H9NO/c23-22(24,25)20-19(27-21(31-20)15-4-2-1-3-5-15)17(30)12-14-6-7-18(26-13-14)28-10-8-16(29)9-11-28;14-9-3-5-12(6-4-9)10-2-1-8(7-11-10)13(15)16;11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13;6-5-2-1-4(3-7-5)8(9)10;7-5-1-3-6-4-2-5/h1-7,13H,8-12H2;1-2,7H,3-6H2;1-2,7H,3-6,11H2;1-3H;6H,1-4H2.

What are the key properties of 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one?

1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one has a molecular weight of 1099.52 g/mol, XLogP of 7.92, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one is sourced from PubChem (CID 157407541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).