3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide

C21H25F3N6O2S — CID 55911639

About 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide

3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide (PubChem CID 55911639) has the molecular formula C21H25F3N6O2S and a molecular weight of 482.53 g/mol. Its IUPAC name is 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide
• PubChem CID: 55911639
• Molecular Formula: C21H25F3N6O2S
• Molecular Weight: 482.53 g/mol
• Exact Mass: 482.17
• IUPAC Name: 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide
• SMILES: O=C(Nc1nccs1)C1CCCN(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1
• InChI: InChI=1S/C21H25F3N6O2S/c22-21(23,24)15-3-4-17(26-12-15)29-9-5-16(6-10-29)27-20(32)30-8-1-2-14(13-30)18(31)28-19-25-7-11-33-19/h3-4,7,11-12,14,16H,1-2,5-6,8-10,13H2,(H,27,32)(H,25,28,31)
• InChIKey: VQBRMZPVKHTDED-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.53
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide?

The IUPAC name of 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide (CID 55911639) is 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide?

The canonical SMILES for 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1.

What is the InChIKey of 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide?

The InChIKey is VQBRMZPVKHTDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O2S/c22-21(23,24)15-3-4-17(26-12-15)29-9-5-16(6-10-29)27-20(32)30-8-1-2-14(13-30)18(31)28-19-25-7-11-33-19/h3-4,7,11-12,14,16H,1-2,5-6,8-10,13H2,(H,27,32)(H,25,28,31).

What are the key properties of 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide?

3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide has a molecular weight of 482.53 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55911639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).