N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

C25H27F2N5O3 — CID 18727071

About N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 18727071) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
• PubChem CID: 18727071
• Molecular Formula: C25H27F2N5O3
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.21
• IUPAC Name: N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
• SMILES: CC1OC(=O)N(C(=O)NCCNC2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1
• InChI: InChI=1S/C25H27F2N5O3/c1-16-23(17-6-7-20(26)21(27)14-17)32(25(34)35-16)24(33)30-11-10-29-19-8-12-31(13-9-19)22-5-3-2-4-18(22)15-28/h2-7,14,16,19,23,29H,8-13H2,1H3,(H,30,33)
• InChIKey: DSJUDJWTJJLRRP-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 97.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The IUPAC name of N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (CID 18727071) is N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.

What is the SMILES notation for N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The canonical SMILES for N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is CC1OC(=O)N(C(=O)NCCNC2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1.

What is the InChIKey of N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The InChIKey is DSJUDJWTJJLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3/c1-16-23(17-6-7-20(26)21(27)14-17)32(25(34)35-16)24(33)30-11-10-29-19-8-12-31(13-9-19)22-5-3-2-4-18(22)15-28/h2-7,14,16,19,23,29H,8-13H2,1H3,(H,30,33).

What are the key properties of N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(2-cyanophenyl)piperidin-4-yl]amino]ethyl]-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 18727071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).