N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C22H22F3N3O2 — CID 9367840

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 9367840) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 9367840
• Molecular Formula: C22H22F3N3O2
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.17
• IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
• SMILES: C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc2ccccc2o1
• InChI: InChI=1S/C22H22F3N3O2/c1-14(19-12-16-4-2-3-5-18(16)30-19)27-21(29)15-8-10-28(11-9-15)20-7-6-17(13-26-20)22(23,24)25/h2-7,12-15H,8-11H2,1H3,(H,27,29)/t14-/m1/s1
• InChIKey: CHIKZNVZYPKBIQ-CQSZACIVSA-N
• XLogP: 4.94
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 9367840) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc2ccccc2o1.

What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

The InChIKey is CHIKZNVZYPKBIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-14(19-12-16-4-2-3-5-18(16)30-19)27-21(29)15-8-10-28(11-9-15)20-7-6-17(13-26-20)22(23,24)25/h2-7,12-15H,8-11H2,1H3,(H,27,29)/t14-/m1/s1.

What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 9367840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).