1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C24H28F3N5O3 — CID 110152504

About 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 110152504) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• PubChem CID: 110152504
• Molecular Formula: C24H28F3N5O3
• Molecular Weight: 491.51 g/mol
• Exact Mass: 491.21
• IUPAC Name: 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• SMILES: NC(=O)C1(c2ccccn2)CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1
• InChI: InChI=1S/C24H28F3N5O3/c25-24(26,27)17-5-6-19(32-10-12-35-13-11-32)18(14-17)30-21(33)15-31-9-3-7-23(16-31,22(28)34)20-4-1-2-8-29-20/h1-2,4-6,8,14H,3,7,9-13,15-16H2,(H2,28,34)(H,30,33)
• InChIKey: IDUBAXHALYQKOK-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 100.79 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	491.51
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The IUPAC name of 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 110152504) is 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is NC(=O)C1(c2ccccn2)CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1.

What is the InChIKey of 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The InChIKey is IDUBAXHALYQKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c25-24(26,27)17-5-6-19(32-10-12-35-13-11-32)18(14-17)30-21(33)15-31-9-3-7-23(16-31,22(28)34)20-4-1-2-8-29-20/h1-2,4-6,8,14H,3,7,9-13,15-16H2,(H2,28,34)(H,30,33).

What are the key properties of 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 491.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110152504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).