N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide

C45H51F4N9O4 — CID 161101716

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 161101716) has the molecular formula C45H51F4N9O4 and a molecular weight of 857.95 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
• PubChem CID: 161101716
• Molecular Formula: C45H51F4N9O4
• Molecular Weight: 857.95 g/mol
• Exact Mass: 857.40
• IUPAC Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
• SMILES: CCN1CCC(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1.CCN1CCC(C(=O)N(Cc2ccc(C(=O)CN)cn2)c2cccc(F)c2)CC1
• InChI: InChI=1S/C23H24F3N5O2.C22H27FN4O2/c1-2-30-10-8-15(9-11-30)23(32)31(19-5-3-4-17(24)12-19)14-18-7-6-16(13-27-18)21-28-29-22(33-21)20(25)26;1-2-26-10-8-16(9-11-26)22(29)27(20-5-3-4-18(23)12-20)15-19-7-6-17(14-25-19)21(28)13-24/h3-7,12-13,15,20H,2,8-11,14H2,1H3;3-7,12,14,16H,2,8-11,13,15,24H2,1H3
• InChIKey: UINCZNSHECGMKX-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 154.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.95
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide?

The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 161101716) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide?

The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide is CCN1CCC(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1.CCN1CCC(C(=O)N(Cc2ccc(C(=O)CN)cn2)c2cccc(F)c2)CC1.

What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide?

The InChIKey is UINCZNSHECGMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2.C22H27FN4O2/c1-2-30-10-8-15(9-11-30)23(32)31(19-5-3-4-17(24)12-19)14-18-7-6-16(13-27-18)21-28-29-22(33-21)20(25)26;1-2-26-10-8-16(9-11-26)22(29)27(20-5-3-4-18(23)12-20)15-19-7-6-17(14-25-19)21(28)13-24/h3-7,12-13,15,20H,2,8-11,14H2,1H3;3-7,12,14,16H,2,8-11,13,15,24H2,1H3.

What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide?

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 857.95 g/mol, XLogP of 7.10, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 161101716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).